2-[(1-phenylcyclopentyl)carbamoylamino]propanoic acid

C15H20N2O3 — CID 110490888

IUPAC2-[(1-phenylcyclopentyl)carbamoylamino]propanoic acid
SMILESCC(NC(=O)NC1(c2ccccc2)CCCC1)C(=O)O
InChIInChI=1S/C15H20N2O3/c1-11(13(18)19)16-14(20)17-15(9-5-6-10-15)12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyBCMMNMZKNRFCMC-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.23
Rot. Bonds4

About 2-[(1-phenylcyclopentyl)carbamoylamino]propanoic acid

2-[(1-phenylcyclopentyl)carbamoylamino]propanoic acid (PubChem CID 110490888) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[(1-phenylcyclopentyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-[(1-phenylcyclopentyl)carbamoylamino]propanoic acid
PubChem CID110490888
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[(1-phenylcyclopentyl)carbamoylamino]propanoic acid
SMILESCC(NC(=O)NC1(c2ccccc2)CCCC1)C(=O)O
InChIInChI=1S/C15H20N2O3/c1-11(13(18)19)16-14(20)17-15(9-5-6-10-15)12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyBCMMNMZKNRFCMC-UHFFFAOYSA-N
XLogP2.23
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-aminophenyl)cyclopentyl]-3-propan-2-ylurea
CID 110490871
2-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid
CID 43355416
(2R)-2-amino-N-(1-phenylcyclobutyl)propanamide
CID 119275385
(2S)-2-[(1-phenylcyclopropanecarbonyl)amino]propanoic acid
CID 54432657
1-[1-(3-aminophenyl)cyclopropyl]-3-propan-2-ylurea
CID 110490986
N-(1-phenylcyclopropyl)propanamide
CID 110441332
(2S)-2-[(1-methylcyclopropyl)carbamoylamino]propanoic acid
CID 104865758
1-(2,6-dimethylphenyl)-3-(1-phenylcyclopropyl)urea
CID 110469284
1-(1-phenylcyclopentyl)-3-(1H-pyrazol-5-yl)urea
CID 110469840
1-butan-2-yl-3-[1-(4-fluorophenyl)cyclopentyl]urea
CID 110490855
N-(1-phenylcyclohexyl)butanamide
CID 110478581
ethyl N-(1-phenylcyclopentyl)carbamate
CID 110445044

Frequently Asked Questions

What is the IUPAC name of 2-[(1-phenylcyclopentyl)carbamoylamino]propanoic acid?
The IUPAC name of 2-[(1-phenylcyclopentyl)carbamoylamino]propanoic acid (CID 110490888) is 2-[(1-phenylcyclopentyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 2-[(1-phenylcyclopentyl)carbamoylamino]propanoic acid?
The canonical SMILES for 2-[(1-phenylcyclopentyl)carbamoylamino]propanoic acid is CC(NC(=O)NC1(c2ccccc2)CCCC1)C(=O)O.
What is the InChIKey of 2-[(1-phenylcyclopentyl)carbamoylamino]propanoic acid?
The InChIKey is BCMMNMZKNRFCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11(13(18)19)16-14(20)17-15(9-5-6-10-15)12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[(1-phenylcyclopentyl)carbamoylamino]propanoic acid?
2-[(1-phenylcyclopentyl)carbamoylamino]propanoic acid has a molecular weight of 276.34 g/mol, XLogP of 2.23, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-phenylcyclopentyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 110490888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).