2-[[(4-chlorophenyl)methyl-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid

C15H19ClN2O3 — CID 64817880

IUPAC2-[[(4-chlorophenyl)methyl-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCN(Cc1ccc(Cl)cc1)C(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C15H19ClN2O3/c1-18(9-10-5-7-11(16)8-6-10)15(21)17-13-4-2-3-12(13)14(19)20/h5-8,12-13H,2-4,9H2,1H3,(H,17,21)(H,19,20)
InChIKeySRIJWJPUFDZSOY-UHFFFAOYSA-N
MW310.78 g/mol
LogP2.73
Rot. Bonds4

About 2-[[(4-chlorophenyl)methyl-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid

2-[[(4-chlorophenyl)methyl-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 64817880) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 2-[[(4-chlorophenyl)methyl-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[(4-chlorophenyl)methyl-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID64817880
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name2-[[(4-chlorophenyl)methyl-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCN(Cc1ccc(Cl)cc1)C(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C15H19ClN2O3/c1-18(9-10-5-7-11(16)8-6-10)15(21)17-13-4-2-3-12(13)14(19)20/h5-8,12-13H,2-4,9H2,1H3,(H,17,21)(H,19,20)
InChIKeySRIJWJPUFDZSOY-UHFFFAOYSA-N
XLogP2.73
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 64817499
2-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 64815743
1-benzyl-1-methyl-3-(2-methylcyclohexyl)urea
CID 51111526
1-[(4-chlorophenyl)methyl]-1-methyl-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 86927691
2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 64815512
2-[(4-chlorophenyl)methyl-methylamino]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11929339
4-[[(4-fluorophenyl)methyl-methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66238952
(2R)-1-[(4-chlorophenyl)methyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922929
4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66239350
2-[(4-chlorophenyl)methyl-methylamino]-4-methylcyclohexane-1-carboxylic acid
CID 63072994
2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 79864609
2-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 64816735

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-chlorophenyl)methyl-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[(4-chlorophenyl)methyl-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid (CID 64817880) is 2-[[(4-chlorophenyl)methyl-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[(4-chlorophenyl)methyl-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[(4-chlorophenyl)methyl-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid is CN(Cc1ccc(Cl)cc1)C(=O)NC1CCCC1C(=O)O.
What is the InChIKey of 2-[[(4-chlorophenyl)methyl-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is SRIJWJPUFDZSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-18(9-10-5-7-11(16)8-6-10)15(21)17-13-4-2-3-12(13)14(19)20/h5-8,12-13H,2-4,9H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 2-[[(4-chlorophenyl)methyl-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid?
2-[[(4-chlorophenyl)methyl-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 310.78 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-chlorophenyl)methyl-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64817880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).