Home > Compound List > Compound details
32377-88-1 molecular structure
click picture or here to close

2-(cyclohexylformamido)acetic acid

ChemBase ID: 228332
Molecular Formular: C9H15NO3
Molecular Mass: 185.2203
Monoisotopic Mass: 185.10519335
SMILES and InChIs

SMILES:
C(=O)(NCC(=O)O)C1CCCCC1
Canonical SMILES:
O=C(C1CCCCC1)NCC(=O)O
InChI:
InChI=1S/C9H15NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h7H,1-6H2,(H,10,13)(H,11,12)
InChIKey:
ROXXNENGCGLRSW-UHFFFAOYSA-N

Cite this record

CBID:228332 http://www.chembase.cn/molecule-228332.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(cyclohexylformamido)acetic acid
IUPAC Traditional name
(cyclohexylformamido)acetic acid
Synonyms
(Cyclohexanecarbonyl-amino)-acetic acid
CAS Number
32377-88-1
MDL Number
MFCD00619714
PubChem SID
164284242
PubChem CID
147412

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-00169 external link Add to cart Please log in.
Data Source Data ID
PubChem 147412 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.1386023  H Acceptors
H Donor LogD (pH = 5.5) -0.5920924 
LogD (pH = 7.4) -2.2894106  Log P 0.78487325 
Molar Refractivity 46.6494 cm3 Polarizability 18.36294 Å3
Polar Surface Area 66.4 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
154 - 156°C expand Show data source
Hydrophobicity(logP)
1.124 expand Show data source
Purity
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