2-(cyclopentylamino)butanoic acid

C9H17NO2 — CID 60998249

IUPAC2-(cyclopentylamino)butanoic acid
SMILESCCC(NC1CCCC1)C(=O)O
InChIInChI=1S/C9H17NO2/c1-2-8(9(11)12)10-7-5-3-4-6-7/h7-8,10H,2-6H2,1H3,(H,11,12)
InChIKeyMVWPZWZVNPMHBE-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.38
Rot. Bonds4

About 2-(cyclopentylamino)butanoic acid

2-(cyclopentylamino)butanoic acid (PubChem CID 60998249) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(cyclopentylamino)butanoic acid.

Molecular Properties

Compound Name2-(cyclopentylamino)butanoic acid
PubChem CID60998249
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-(cyclopentylamino)butanoic acid
SMILESCCC(NC1CCCC1)C(=O)O
InChIInChI=1S/C9H17NO2/c1-2-8(9(11)12)10-7-5-3-4-6-7/h7-8,10H,2-6H2,1H3,(H,11,12)
InChIKeyMVWPZWZVNPMHBE-UHFFFAOYSA-N
XLogP1.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1-acetylpiperidin-4-yl)amino]butanoic acid
CID 115352992
2-(cyclohexylamino)heptanoic acid
CID 60998800
2-[(1-tert-butylpiperidin-4-yl)amino]butanoic acid
CID 115353170
2-(cyclopentylamino)-4-methoxy-4-methylpentanoic acid
CID 106675996
2-(cyclohexylcarbamoylamino)butanoic acid
CID 43469984
2-(cyclohexylamino)-4-ethylsulfanylbutanoic acid
CID 116504388
2-[(1-ethoxycarbonylpiperidin-4-yl)amino]butanoic acid
CID 64667745
2-(cyclopentylamino)pent-4-enoic acid
CID 82933340
2-(1-cyclopentylethylamino)butanoic acid
CID 64667783
2-(cyclohexylamino)-4-methoxy-4-methylpentanoic acid
CID 106675998
(2R)-2-[[(3S)-1,1-dioxothiolan-3-yl]amino]butanoic acid
CID 7058941
2-[[(1S)-1-cycloheptylethyl]amino]butanoic acid
CID 81392114

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)butanoic acid?
The IUPAC name of 2-(cyclopentylamino)butanoic acid (CID 60998249) is 2-(cyclopentylamino)butanoic acid.
What is the SMILES notation for 2-(cyclopentylamino)butanoic acid?
The canonical SMILES for 2-(cyclopentylamino)butanoic acid is CCC(NC1CCCC1)C(=O)O.
What is the InChIKey of 2-(cyclopentylamino)butanoic acid?
The InChIKey is MVWPZWZVNPMHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-8(9(11)12)10-7-5-3-4-6-7/h7-8,10H,2-6H2,1H3,(H,11,12).
What are the key properties of 2-(cyclopentylamino)butanoic acid?
2-(cyclopentylamino)butanoic acid has a molecular weight of 171.24 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)butanoic acid is sourced from PubChem (CID 60998249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).