2-(cyclopentylmethylamino)propanoic acid

C9H17NO2 — CID 61344306

IUPAC2-(cyclopentylmethylamino)propanoic acid
SMILESCC(NCC1CCCC1)C(=O)O
InChIInChI=1S/C9H17NO2/c1-7(9(11)12)10-6-8-4-2-3-5-8/h7-8,10H,2-6H2,1H3,(H,11,12)
InChIKeyOCBUARVBSPGZQZ-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.24
Rot. Bonds4

About 2-(cyclopentylmethylamino)propanoic acid

2-(cyclopentylmethylamino)propanoic acid (PubChem CID 61344306) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(cyclopentylmethylamino)propanoic acid.

Molecular Properties

Compound Name2-(cyclopentylmethylamino)propanoic acid
PubChem CID61344306
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-(cyclopentylmethylamino)propanoic acid
SMILESCC(NCC1CCCC1)C(=O)O
InChIInChI=1S/C9H17NO2/c1-7(9(11)12)10-6-8-4-2-3-5-8/h7-8,10H,2-6H2,1H3,(H,11,12)
InChIKeyOCBUARVBSPGZQZ-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclohexylmethylamino)propanamide
CID 43216154
2-[(3-hydroxycyclobutyl)methylamino]propanoic acid
CID 66005490
2-[(3-methylcyclopentyl)methylamino]propanoic acid
CID 107411961
3-(cyclopentylmethylamino)butanoic acid
CID 43536958
3-(cyclobutylmethylamino)-2-methylbutanoic acid
CID 79390885
(2S)-2-[(3-cyclohexyl-2-methylpropyl)amino]propanoic acid
CID 122038991
2-[(1-methylsulfonylpiperidin-3-yl)methylamino]propanoic acid
CID 79609766
(2S)-2-[(1-methylsulfonylpiperidin-3-yl)methylamino]propanoic acid
CID 83194002
N-cyclopentyl-2-(cyclopropylmethylamino)propanamide
CID 43116561
(2R)-2-[(4-phenylcyclohexyl)methylamino]propanoic acid
CID 122038120
2-(cyclohex-3-en-1-ylmethylamino)propanoic acid
CID 61499571
(2S)-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]propanoic acid
CID 165389159

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethylamino)propanoic acid?
The IUPAC name of 2-(cyclopentylmethylamino)propanoic acid (CID 61344306) is 2-(cyclopentylmethylamino)propanoic acid.
What is the SMILES notation for 2-(cyclopentylmethylamino)propanoic acid?
The canonical SMILES for 2-(cyclopentylmethylamino)propanoic acid is CC(NCC1CCCC1)C(=O)O.
What is the InChIKey of 2-(cyclopentylmethylamino)propanoic acid?
The InChIKey is OCBUARVBSPGZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(9(11)12)10-6-8-4-2-3-5-8/h7-8,10H,2-6H2,1H3,(H,11,12).
What are the key properties of 2-(cyclopentylmethylamino)propanoic acid?
2-(cyclopentylmethylamino)propanoic acid has a molecular weight of 171.24 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethylamino)propanoic acid is sourced from PubChem (CID 61344306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).