3-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid

C16H22N2O3 — CID 66030256

IUPAC3-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(N(C)C(=O)NC2CCC(C(=O)O)C2)c(C)c1
InChIInChI=1S/C16H22N2O3/c1-10-4-7-14(11(2)8-10)18(3)16(21)17-13-6-5-12(9-13)15(19)20/h4,7-8,12-13H,5-6,9H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyMORTYLIXKZEMKR-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.70
Rot. Bonds3

About 3-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid

3-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 66030256) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID66030256
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(N(C)C(=O)NC2CCC(C(=O)O)C2)c(C)c1
InChIInChI=1S/C16H22N2O3/c1-10-4-7-14(11(2)8-10)18(3)16(21)17-13-6-5-12(9-13)15(19)20/h4,7-8,12-13H,5-6,9H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyMORTYLIXKZEMKR-UHFFFAOYSA-N
XLogP2.70
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,3S)-3-[[ethyl-(2-methylphenyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106324097
cis-(1R,3S)-3-[3-(2,5-dimethylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 120678903
cis-(1S,3R)-3-[3-(2,5-dimethylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 120676845
3-tert-butyl-1-(2,4-dimethylphenyl)-1-methylurea
CID 115695066
2-[(N,2,4-trimethylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115221380
cis-(1R,3S)-3-[[cyclopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319286
3-[(2-chloro-4-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66030426
3-[(2-bromo-4-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66031810
3-[(2,5-dimethylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 66031352
trans-(1S,3S)-3-[(3-methylthiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 97318295
4-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]-4-oxobut-2-enoic acid
CID 76930790
3-[[2-amino-2-(4-methylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 103869698

Frequently Asked Questions

What is the IUPAC name of 3-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid (CID 66030256) is 3-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid is Cc1ccc(N(C)C(=O)NC2CCC(C(=O)O)C2)c(C)c1.
What is the InChIKey of 3-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is MORTYLIXKZEMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-10-4-7-14(11(2)8-10)18(3)16(21)17-13-6-5-12(9-13)15(19)20/h4,7-8,12-13H,5-6,9H2,1-3H3,(H,17,21)(H,19,20).
What are the key properties of 3-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid?
3-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66030256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).