2-[(2-hydroxy-1-phenylethyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid

C16H21NO4 — CID 114390983

IUPAC2-[(2-hydroxy-1-phenylethyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(C(=O)NC(CO)c2ccccc2)C1
InChIInChI=1S/C16H21NO4/c1-10-7-12(13(8-10)16(20)21)15(19)17-14(9-18)11-5-3-2-4-6-11/h2-6,10,12-14,18H,7-9H2,1H3,(H,17,19)(H,20,21)
InChIKeyIMYXMZFSHPZKNN-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.58
Rot. Bonds5

About 2-[(2-hydroxy-1-phenylethyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid

2-[(2-hydroxy-1-phenylethyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid (PubChem CID 114390983) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[(2-hydroxy-1-phenylethyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-1-phenylethyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
PubChem CID114390983
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name2-[(2-hydroxy-1-phenylethyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(C(=O)NC(CO)c2ccccc2)C1
InChIInChI=1S/C16H21NO4/c1-10-7-12(13(8-10)16(20)21)15(19)17-14(9-18)11-5-3-2-4-6-11/h2-6,10,12-14,18H,7-9H2,1H3,(H,17,19)(H,20,21)
InChIKeyIMYXMZFSHPZKNN-UHFFFAOYSA-N
XLogP1.58
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1S)-2-hydroxy-1-phenylethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 107862038
N-(2-hydroxy-1-phenylethyl)-3-methylpyrrolidine-2-carboxamide
CID 102779419
(1R,2R,3S,4S)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 102059311
N-(2-hydroxy-1-phenylethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 110001471
N-[(1R)-2-hydroxy-1-phenylethyl]cyclopent-3-ene-1-carboxamide
CID 113258888
N-(2-hydroxy-1-phenylethyl)cyclobutanecarboxamide
CID 63184812
N-[(1S)-2-hydroxy-1-phenylethyl]cyclobutanecarboxamide
CID 103945021
(2R,5S)-5-[[(1R)-2-hydroxy-1-phenylethyl]carbamoyl]oxolane-2-carboxylic acid
CID 107862091
5-[(2-hydroxy-1-phenylethyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688505
N-[3-[[(1R)-2-hydroxy-1-phenylethyl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 103944596
6-(1-phenylpropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 17281542
N-(1,3-diphenylpropyl)-2-methylcyclopropane-1-carboxamide
CID 56796182

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-1-phenylethyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(2-hydroxy-1-phenylethyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid (CID 114390983) is 2-[(2-hydroxy-1-phenylethyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-hydroxy-1-phenylethyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(2-hydroxy-1-phenylethyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid is CC1CC(C(=O)O)C(C(=O)NC(CO)c2ccccc2)C1.
What is the InChIKey of 2-[(2-hydroxy-1-phenylethyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The InChIKey is IMYXMZFSHPZKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-10-7-12(13(8-10)16(20)21)15(19)17-14(9-18)11-5-3-2-4-6-11/h2-6,10,12-14,18H,7-9H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 2-[(2-hydroxy-1-phenylethyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
2-[(2-hydroxy-1-phenylethyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-1-phenylethyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 114390983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).