2-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]propanoic acid

C16H21NO4 — CID 119225858

IUPAC2-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]propanoic acid
SMILESCOc1cccc(C2(C(=O)NC(C)C(=O)O)CCCC2)c1
InChIInChI=1S/C16H21NO4/c1-11(14(18)19)17-15(20)16(8-3-4-9-16)12-6-5-7-13(10-12)21-2/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyIRHFXUDJQVUBLO-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.10
Rot. Bonds5

About 2-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]propanoic acid

2-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]propanoic acid (PubChem CID 119225858) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]propanoic acid
PubChem CID119225858
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name2-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]propanoic acid
SMILESCOc1cccc(C2(C(=O)NC(C)C(=O)O)CCCC2)c1
InChIInChI=1S/C16H21NO4/c1-11(14(18)19)17-15(20)16(8-3-4-9-16)12-6-5-7-13(10-12)21-2/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyIRHFXUDJQVUBLO-UHFFFAOYSA-N
XLogP2.10
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid
CID 43355416
3-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]-2-phenylpropanoic acid
CID 119255048
N-(2-amino-2-methylpropyl)-1-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 119627481
(2S)-2-[(1-phenylcyclopropanecarbonyl)amino]propanoic acid
CID 54432657
N-(2-amino-1-cyclopropylethyl)-1-(3-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119614549
N-(1-aminohexan-2-yl)-1-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 119666253
N-(2-aminoethyl)-1-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 119383272
N-(3-methoxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 1455676
(2R)-2-[[1-(4-propan-2-ylphenyl)cyclopentanecarbonyl]amino]propanoic acid
CID 119369696
cis-(1S,3R)-3-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676107
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 18198508
3-[[1-(3-methoxyphenyl)cyclohexyl]amino]-2-methyl-3-oxopropanoic acid
CID 154870795

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]propanoic acid?
The IUPAC name of 2-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]propanoic acid (CID 119225858) is 2-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]propanoic acid.
What is the SMILES notation for 2-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]propanoic acid?
The canonical SMILES for 2-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]propanoic acid is COc1cccc(C2(C(=O)NC(C)C(=O)O)CCCC2)c1.
What is the InChIKey of 2-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]propanoic acid?
The InChIKey is IRHFXUDJQVUBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-11(14(18)19)17-15(20)16(8-3-4-9-16)12-6-5-7-13(10-12)21-2/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 2-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]propanoic acid?
2-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]propanoic acid has a molecular weight of 291.35 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]propanoic acid is sourced from PubChem (CID 119225858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).