2-[(4-methylphenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid

C15H20N2O3 — CID 64817088

IUPAC2-[(4-methylphenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(CNC(=O)NC2CCCC2C(=O)O)cc1
InChIInChI=1S/C15H20N2O3/c1-10-5-7-11(8-6-10)9-16-15(20)17-13-4-2-3-12(13)14(18)19/h5-8,12-13H,2-4,9H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyKDQDIDPFVWLRLZ-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.05
Rot. Bonds4

About 2-[(4-methylphenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid

2-[(4-methylphenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 64817088) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-methylphenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID64817088
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[(4-methylphenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(CNC(=O)NC2CCCC2C(=O)O)cc1
InChIInChI=1S/C15H20N2O3/c1-10-5-7-11(8-6-10)9-16-15(20)17-13-4-2-3-12(13)14(18)19/h5-8,12-13H,2-4,9H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyKDQDIDPFVWLRLZ-UHFFFAOYSA-N
XLogP2.05
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(thiophen-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 64816561
2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64815599
2-[3-(4-methylphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 64812086
2-[(3-methyl-2-pyridinyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64815795
1-(2-methylcyclopentyl)-3-[2-(4-methylphenyl)ethyl]urea
CID 86962509
trans-(1S,3S)-3-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124552917
2-[(2-fluorophenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64818051
2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64815607
1-[(4-chlorophenyl)methyl]-3-(2-methylcyclohexyl)urea
CID 47133576
trans-(1R,2R)-2-[[2-(2,5-dimethylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 95363924
2-[(5-bromothiophen-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64817149
2-[(5-ethylthiophen-2-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 106005548

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(4-methylphenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid (CID 64817088) is 2-[(4-methylphenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-methylphenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(4-methylphenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid is Cc1ccc(CNC(=O)NC2CCCC2C(=O)O)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is KDQDIDPFVWLRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-5-7-11(8-6-10)9-16-15(20)17-13-4-2-3-12(13)14(18)19/h5-8,12-13H,2-4,9H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[(4-methylphenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
2-[(4-methylphenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 2.05, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64817088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).