2-[(1-phenylcyclopentanecarbonyl)-propan-2-ylamino]acetic acid

C17H23NO3 — CID 60831036

IUPAC2-[(1-phenylcyclopentanecarbonyl)-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C17H23NO3/c1-13(2)18(12-15(19)20)16(21)17(10-6-7-11-17)14-8-4-3-5-9-14/h3-5,8-9,13H,6-7,10-12H2,1-2H3,(H,19,20)
InChIKeyKMHDVBDYRUYBOU-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.82
Rot. Bonds5

About 2-[(1-phenylcyclopentanecarbonyl)-propan-2-ylamino]acetic acid

2-[(1-phenylcyclopentanecarbonyl)-propan-2-ylamino]acetic acid (PubChem CID 60831036) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[(1-phenylcyclopentanecarbonyl)-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(1-phenylcyclopentanecarbonyl)-propan-2-ylamino]acetic acid
PubChem CID60831036
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name2-[(1-phenylcyclopentanecarbonyl)-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C17H23NO3/c1-13(2)18(12-15(19)20)16(21)17(10-6-7-11-17)14-8-4-3-5-9-14/h3-5,8-9,13H,6-7,10-12H2,1-2H3,(H,19,20)
InChIKeyKMHDVBDYRUYBOU-UHFFFAOYSA-N
XLogP2.82
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(1-phenylcyclopentanecarbonyl)-propan-2-ylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1-phenylcyclopropanecarbonyl)-propan-2-ylamino]acetic acid
CID 60831044
N-(2-chloroethyl)-1-phenyl-N-propan-2-ylcyclopropane-1-carboxamide
CID 63393888
N-benzyl-1-phenyl-N-propan-2-ylcyclopropane-1-carboxamide
CID 113198160
2-[ethyl-(1-phenylcyclopropanecarbonyl)amino]acetic acid
CID 54900888
N-(3-hydroxybutyl)-N-methyl-1-phenylcyclobutane-1-carboxamide
CID 115673284
N-(2-hydroxypropyl)-N-methyl-1-phenylcyclopropane-1-carboxamide
CID 62335163
1-(1-phenylcyclopentyl)propan-1-one
CID 63080096
2-[benzoyl(propan-2-yl)amino]acetic acid
CID 60830657
2-methylpropyl 1-phenylcyclohexane-1-carboxylate
CID 162502203
3-methyl-1-(1-phenylcyclopentyl)pentan-1-one
CID 55179619
N-ethyl-N,1-diphenylcyclobutane-1-carboxamide
CID 69093061
2-methyl-3-[methyl-(1-phenylcyclopropanecarbonyl)amino]propanoic acid
CID 55008067

Frequently Asked Questions

What is the IUPAC name of 2-[(1-phenylcyclopentanecarbonyl)-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(1-phenylcyclopentanecarbonyl)-propan-2-ylamino]acetic acid (CID 60831036) is 2-[(1-phenylcyclopentanecarbonyl)-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(1-phenylcyclopentanecarbonyl)-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(1-phenylcyclopentanecarbonyl)-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)C(=O)C1(c2ccccc2)CCCC1.
What is the InChIKey of 2-[(1-phenylcyclopentanecarbonyl)-propan-2-ylamino]acetic acid?
The InChIKey is KMHDVBDYRUYBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-13(2)18(12-15(19)20)16(21)17(10-6-7-11-17)14-8-4-3-5-9-14/h3-5,8-9,13H,6-7,10-12H2,1-2H3,(H,19,20).
What are the key properties of 2-[(1-phenylcyclopentanecarbonyl)-propan-2-ylamino]acetic acid?
2-[(1-phenylcyclopentanecarbonyl)-propan-2-ylamino]acetic acid has a molecular weight of 289.38 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-phenylcyclopentanecarbonyl)-propan-2-ylamino]acetic acid is sourced from PubChem (CID 60831036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).