Home > Compound List > Compound details
41447-17-0 molecular structure
click picture or here to close

(2R)-1-methylpiperidine-2-carboxylic acid

ChemBase ID: 286576
Molecular Formular: C7H13NO2
Molecular Mass: 143.18362
Monoisotopic Mass: 143.09462866
SMILES and InChIs

SMILES:
N1([C@@H](C(=O)O)CCCC1)C
Canonical SMILES:
CN1CCCC[C@@H]1C(=O)O
InChI:
InChI=1S/C7H13NO2/c1-8-5-3-2-4-6(8)7(9)10/h6H,2-5H2,1H3,(H,9,10)/t6-/m1/s1
InChIKey:
BPSLZWSRHTULGU-ZCFIWIBFSA-N

Cite this record

CBID:286576 http://www.chembase.cn/molecule-286576.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-1-methylpiperidine-2-carboxylic acid
IUPAC Traditional name
(2R)-1-methylpiperidine-2-carboxylic acid
Synonyms
(2R)-1-methylpiperidine-2-carboxylic acid
(R)-1-Methylpiperidine-2-carboxylic acid
CAS Number
41447-17-0
MDL Number
MFCD13183995
PubChem SID
180672107
PubChem CID
11286529

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 11286529 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.8596274  H Acceptors
H Donor LogD (pH = 5.5) -1.9998764 
LogD (pH = 7.4) -2.0004313  Log P -1.9998375 
Molar Refractivity 37.96 cm3 Polarizability 14.9515705 Å3
Polar Surface Area 40.54 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
219 - 221°C expand Show data source
Hydrophobicity(logP)
-0.978 expand Show data source
Purity
95% expand Show data source
95+% expand Show data source

DETAILS

DETAILS

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