2-[(2-methoxyphenyl)methyl-methylcarbamoyl]cyclopentane-1-carboxylic acid

C16H21NO4 — CID 103977987

IUPAC2-[(2-methoxyphenyl)methyl-methylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCOc1ccccc1CN(C)C(=O)C1CCCC1C(=O)O
InChIInChI=1S/C16H21NO4/c1-17(10-11-6-3-4-9-14(11)21-2)15(18)12-7-5-8-13(12)16(19)20/h3-4,6,9,12-13H,5,7-8,10H2,1-2H3,(H,19,20)
InChIKeyFUEBTKRQDKBFFD-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.15
Rot. Bonds5

About 2-[(2-methoxyphenyl)methyl-methylcarbamoyl]cyclopentane-1-carboxylic acid

2-[(2-methoxyphenyl)methyl-methylcarbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103977987) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methyl-methylcarbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methyl-methylcarbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103977987
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name2-[(2-methoxyphenyl)methyl-methylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCOc1ccccc1CN(C)C(=O)C1CCCC1C(=O)O
InChIInChI=1S/C16H21NO4/c1-17(10-11-6-3-4-9-14(11)21-2)15(18)12-7-5-8-13(12)16(19)20/h3-4,6,9,12-13H,5,7-8,10H2,1-2H3,(H,19,20)
InChIKeyFUEBTKRQDKBFFD-UHFFFAOYSA-N
XLogP2.15
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxyphenyl)methyl]-N,6-dimethylpiperidine-2-carboxamide
CID 61417523
(2R,5S)-5-[(2-methoxyphenyl)methyl-methylcarbamoyl]oxolane-2-carboxylic acid
CID 102944496
N-[(2-methoxyphenyl)methyl]-N,3-dimethylpyrrolidine-2-carboxamide
CID 102778901
2-[2-(2-methoxyphenoxy)ethyl-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975195
(3S)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 81128624
N-[(2-methoxyphenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide
CID 106739545
2-[2-(2-methoxyphenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106259952
4-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 79511106
trans-(1S,2S)-2-[(2-methoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 800075
(1S,3S,4S)-3-amino-4-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 155940113
1-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 132762136
1-[(2-methoxyphenyl)methyl-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62095246

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methyl-methylcarbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(2-methoxyphenyl)methyl-methylcarbamoyl]cyclopentane-1-carboxylic acid (CID 103977987) is 2-[(2-methoxyphenyl)methyl-methylcarbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-methoxyphenyl)methyl-methylcarbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(2-methoxyphenyl)methyl-methylcarbamoyl]cyclopentane-1-carboxylic acid is COc1ccccc1CN(C)C(=O)C1CCCC1C(=O)O.
What is the InChIKey of 2-[(2-methoxyphenyl)methyl-methylcarbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is FUEBTKRQDKBFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-17(10-11-6-3-4-9-14(11)21-2)15(18)12-7-5-8-13(12)16(19)20/h3-4,6,9,12-13H,5,7-8,10H2,1-2H3,(H,19,20).
What are the key properties of 2-[(2-methoxyphenyl)methyl-methylcarbamoyl]cyclopentane-1-carboxylic acid?
2-[(2-methoxyphenyl)methyl-methylcarbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methyl-methylcarbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103977987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).