Home > Compound List > Compound details
13734-36-6 molecular structure
click picture or here to close

2-{[(tert-butoxy)carbonyl](methyl)amino}acetic acid

ChemBase ID: 39518
Molecular Formular: C8H15NO4
Molecular Mass: 189.209
Monoisotopic Mass: 189.10010797
SMILES and InChIs

SMILES:
N(C)(CC(=O)O)C(=O)OC(C)(C)C
Canonical SMILES:
CN(C(=O)OC(C)(C)C)CC(=O)O
InChI:
InChI=1S/C8H15NO4/c1-8(2,3)13-7(12)9(4)5-6(10)11/h5H2,1-4H3,(H,10,11)
InChIKey:
YRXIMPFOTQVOHG-UHFFFAOYSA-N

Cite this record

CBID:39518 http://www.chembase.cn/molecule-39518.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-{[(tert-butoxy)carbonyl](methyl)amino}acetic acid
IUPAC Traditional name
[(tert-butoxycarbonyl)(methyl)amino]acetic acid
Synonyms
Boc-Nalpha-methylglycine
[(tert-Butoxycarbonyl)(methyl)amino]acetic acid
Sarcosine, N-BOC proteced
N-Methylglycine, N-BOC protected
Boc-N-methylglycine
Boc-sarcosine
Boc-Sar-OH
Boc-Sar-OH
N-Boc-sarcosine
2-{[(tert-butoxy)carbonyl](methyl)amino}acetic acid
BOC-肌氨酸
Boc-N-甲基甘氨酸
N-Boc-肌氨酸
CAS Number
13734-36-6
EC Number
237-306-0
MDL Number
MFCD00037795
Beilstein Number
2046827
PubChem SID
24849318
161002825
PubChem CID
83692

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.0329676  H Acceptors
H Donor LogD (pH = 5.5) -0.9095589 
LogD (pH = 7.4) -2.5715582  Log P 0.5682979 
Molar Refractivity 45.7731 cm3 Polarizability 17.99616 Å3
Polar Surface Area 66.84 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
88 - 90°C expand Show data source
88-90 °C expand Show data source
88-90°C expand Show data source
88-93°C expand Show data source
Hydrophobicity(logP)
1.526 expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant/Moisture Sensitive/Keep Cold expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
-20°C expand Show data source
2-8°C expand Show data source
Purity
≥99.0% (T) expand Show data source
95% expand Show data source
99% expand Show data source
Linear Formula
(CH3)3COCON(CH3)CH2COOH expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 15495 external link
Packaging
5, 25 g in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle