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MFCD17977010 molecular structure
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2-(cyclopentylamino)acetamide hydrochloride

ChemBase ID: 270855
Molecular Formular: C7H15ClN2O
Molecular Mass: 178.6598
Monoisotopic Mass: 178.08729079
SMILES and InChIs

SMILES:
C(=O)(CNC1CCCC1)N.Cl
Canonical SMILES:
NC(=O)CNC1CCCC1.Cl
InChI:
InChI=1S/C7H14N2O.ClH/c8-7(10)5-9-6-3-1-2-4-6;/h6,9H,1-5H2,(H2,8,10);1H
InChIKey:
NKHCKBBXSUJAGZ-UHFFFAOYSA-N

Cite this record

CBID:270855 http://www.chembase.cn/molecule-270855.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(cyclopentylamino)acetamide hydrochloride
IUPAC Traditional name
2-(cyclopentylamino)acetamide hydrochloride
Synonyms
2-(cyclopentylamino)acetamide hydrochloride
MDL Number
MFCD17977010
PubChem SID
164326765
PubChem CID
50988643

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-70002 external link Add to cart Please log in.
Data Source Data ID
PubChem 50988643 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.539211  H Acceptors
H Donor LogD (pH = 5.5) -3.2660024 
LogD (pH = 7.4) -1.9111297  Log P -0.16713591 
Molar Refractivity 39.0134 cm3 Polarizability 15.631624 Å3
Polar Surface Area 55.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
156 - 158°C expand Show data source
Hydrophobicity(logP)
-0.058 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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