2-[1-(3-methoxyphenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid

C16H21NO4 — CID 103978075

IUPAC2-[1-(3-methoxyphenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCOc1cccc(C(C)NC(=O)C2CCCC2C(=O)O)c1
InChIInChI=1S/C16H21NO4/c1-10(11-5-3-6-12(9-11)21-2)17-15(18)13-7-4-8-14(13)16(19)20/h3,5-6,9-10,13-14H,4,7-8H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyZFPRZSFBNFTNTQ-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.37
Rot. Bonds5

About 2-[1-(3-methoxyphenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid

2-[1-(3-methoxyphenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103978075) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[1-(3-methoxyphenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[1-(3-methoxyphenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103978075
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name2-[1-(3-methoxyphenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCOc1cccc(C(C)NC(=O)C2CCCC2C(=O)O)c1
InChIInChI=1S/C16H21NO4/c1-10(11-5-3-6-12(9-11)21-2)17-15(18)13-7-4-8-14(13)16(19)20/h3,5-6,9-10,13-14H,4,7-8H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyZFPRZSFBNFTNTQ-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-2-[[(1S)-1-(3-methoxyphenyl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 124716098
cis-(1R,2S)-2-[[(1S)-1-(3-methoxyphenyl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 124716099
2-amino-N-[1-(3-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 64823175
2-[[(1S)-1-(4-methoxyphenyl)ethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103979010
2-[1-(3-bromophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 60941223
(2R,5S)-5-[[(1S)-1-(3-methoxyphenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid
CID 102945502
5-[[(1R)-1-(3-methoxyphenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid
CID 102688768
N-[1-(3-methoxyphenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 55229579
3-[1-(3-methoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65066771
N-[(1R)-1-(3-methoxyphenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 81373141
N-[1-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119280218
3-[1-(3-methoxyphenyl)ethylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 17265803

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxyphenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[1-(3-methoxyphenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid (CID 103978075) is 2-[1-(3-methoxyphenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[1-(3-methoxyphenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[1-(3-methoxyphenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid is COc1cccc(C(C)NC(=O)C2CCCC2C(=O)O)c1.
What is the InChIKey of 2-[1-(3-methoxyphenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is ZFPRZSFBNFTNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-10(11-5-3-6-12(9-11)21-2)17-15(18)13-7-4-8-14(13)16(19)20/h3,5-6,9-10,13-14H,4,7-8H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-[1-(3-methoxyphenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid?
2-[1-(3-methoxyphenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 2.37, 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)ethylcarbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103978075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).