2-[(3-ethylphenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid

C16H21NO3 — CID 114390366

IUPAC2-[(3-ethylphenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
SMILESCCc1cccc(NC(=O)C2CC(C)CC2C(=O)O)c1
InChIInChI=1S/C16H21NO3/c1-3-11-5-4-6-12(9-11)17-15(18)13-7-10(2)8-14(13)16(19)20/h4-6,9-10,13-14H,3,7-8H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyOZWUEESCCDOODU-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.93
Rot. Bonds4

About 2-[(3-ethylphenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid

2-[(3-ethylphenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid (PubChem CID 114390366) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[(3-ethylphenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-ethylphenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
PubChem CID114390366
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-[(3-ethylphenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
SMILESCCc1cccc(NC(=O)C2CC(C)CC2C(=O)O)c1
InChIInChI=1S/C16H21NO3/c1-3-11-5-4-6-12(9-11)17-15(18)13-7-10(2)8-14(13)16(19)20/h4-6,9-10,13-14H,3,7-8H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyOZWUEESCCDOODU-UHFFFAOYSA-N
XLogP2.93
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2S)-2-[(3-ethylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 844851
2-[[3-(diethylaminomethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60941731
4-methyl-2-[(3-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114390373
cis-(1S,2R)-2-[[3-(methoxymethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 93366056
2-[(4-ethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 54918615
trans-(1S,2R)-N-(3-ethylphenyl)-2-octylcyclopropane-1-carboxamide
CID 98156017
cis-(1S,2R)-2-[(3-hydroxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 11877929
2-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270444
2-[(3-methylsulfonylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60791259
2-[[3-(methanesulfonamido)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60940520
2-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60934101
4-methyl-2-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114390370

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylphenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(3-ethylphenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid (CID 114390366) is 2-[(3-ethylphenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-ethylphenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(3-ethylphenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid is CCc1cccc(NC(=O)C2CC(C)CC2C(=O)O)c1.
What is the InChIKey of 2-[(3-ethylphenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The InChIKey is OZWUEESCCDOODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-3-11-5-4-6-12(9-11)17-15(18)13-7-10(2)8-14(13)16(19)20/h4-6,9-10,13-14H,3,7-8H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(3-ethylphenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
2-[(3-ethylphenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylphenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 114390366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).