2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid

C16H22N2O3 — CID 64817499

IUPAC2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCc1ccccc1CN(C)C(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C16H22N2O3/c1-11-6-3-4-7-12(11)10-18(2)16(21)17-14-9-5-8-13(14)15(19)20/h3-4,6-7,13-14H,5,8-10H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyYGBMDWXUSMSCKT-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.39
Rot. Bonds4

About 2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid

2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 64817499) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID64817499
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCc1ccccc1CN(C)C(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C16H22N2O3/c1-11-6-3-4-7-12(11)10-18(2)16(21)17-14-9-5-8-13(14)15(19)20/h3-4,6-7,13-14H,5,8-10H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyYGBMDWXUSMSCKT-UHFFFAOYSA-N
XLogP2.39
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 64815743
2-[3-(2-methylphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 64812084
2-[[(4-chlorophenyl)methyl-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 64817880
1,3-dimethyl-1-[(2-methylphenyl)methyl]urea
CID 23563161
1-methyl-1-[(2-methylphenyl)methyl]-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 86927709
1-benzyl-1-methyl-3-(2-methylcyclohexyl)urea
CID 51111526
2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 64815512
4-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66238951
N-(2-carbamothioylcyclopentyl)-2-(2-methylphenyl)acetamide
CID 62957100
3-(3-cyclopentylpropyl)-1-methyl-1-[(2-methylphenyl)methyl]urea
CID 55570048
trans-(1R,2R)-2-[[2-(2,5-dimethylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 95363924
2-[[2-[2-(aminomethyl)phenyl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 81322034

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid (CID 64817499) is 2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid is Cc1ccccc1CN(C)C(=O)NC1CCCC1C(=O)O.
What is the InChIKey of 2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is YGBMDWXUSMSCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-6-3-4-7-12(11)10-18(2)16(21)17-14-9-5-8-13(14)15(19)20/h3-4,6-7,13-14H,5,8-10H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid?
2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64817499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).