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32677-01-3 molecular structure
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1,5-di-tert-butyl (2S)-2-aminopentanedioate hydrochloride

ChemBase ID: 134315
Molecular Formular: C13H26ClNO4
Molecular Mass: 295.80284
Monoisotopic Mass: 295.155036
SMILES and InChIs

SMILES:
CC(C)(C)OC(=O)CC[C@@H](C(=O)OC(C)(C)C)N.Cl
Canonical SMILES:
O=C(OC(C)(C)C)CC[C@@H](C(=O)OC(C)(C)C)N.Cl
InChI:
InChI=1S/C13H25NO4.ClH/c1-12(2,3)17-10(15)8-7-9(14)11(16)18-13(4,5)6;/h9H,7-8,14H2,1-6H3;1H/t9-;/m0./s1
InChIKey:
LFEYMWCCUAOUKZ-FVGYRXGTSA-N

Cite this record

CBID:134315 http://www.chembase.cn/molecule-134315.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,5-di-tert-butyl (2S)-2-aminopentanedioate hydrochloride
IUPAC Traditional name
1,5-di-tert-butyl (2S)-2-aminopentanedioate hydrochloride
Synonyms
L-Glutamic acid di-tert-butyl ester hydrochloride
H-Glu(OtBu)-OtBu HCl
L-谷氨酸二叔丁酯 盐酸盐
CAS Number
32677-01-3
MDL Number
MFCD00058003
Beilstein Number
3573738
PubChem SID
24895307
162228592
24886511
PubChem CID
208636

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 208636 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.38991573  LogD (pH = 7.4) 1.1762503 
Log P 1.4678454  Molar Refractivity 68.4371 cm3
Polarizability 27.750528 Å3 Polar Surface Area 78.62 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
German water hazard class
3 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
Purity
≥98.0% (TLC) expand Show data source
95+% expand Show data source
Grade
purum expand Show data source
Empirical Formula (Hill Notation)
C13H25NO4 · HCl expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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