1-[[(4-methoxyphenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid

C15H20N2O4 — CID 115433087

IUPAC1-[[(4-methoxyphenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
SMILESCOc1ccc(NC(=O)NCC2(C(=O)O)CCCC2)cc1
InChIInChI=1S/C15H20N2O4/c1-21-12-6-4-11(5-7-12)17-14(20)16-10-15(13(18)19)8-2-3-9-15/h4-7H,2-3,8-10H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyHHJUQLCGVXBSHT-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.46
Rot. Bonds5

About 1-[[(4-methoxyphenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid

1-[[(4-methoxyphenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 115433087) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 1-[[(4-methoxyphenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(4-methoxyphenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
PubChem CID115433087
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name1-[[(4-methoxyphenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
SMILESCOc1ccc(NC(=O)NCC2(C(=O)O)CCCC2)cc1
InChIInChI=1S/C15H20N2O4/c1-21-12-6-4-11(5-7-12)17-14(20)16-10-15(13(18)19)8-2-3-9-15/h4-7H,2-3,8-10H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyHHJUQLCGVXBSHT-UHFFFAOYSA-N
XLogP2.46
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[[(4-methoxyphenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

1-[[(6-methoxy-3-pyridinyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433896
1-[[(4-iodophenyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 115436676
1-[[(4-acetylphenyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445330
1-[[(3,4-dimethylphenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433949
1-[[(2-chloro-5-methoxyphenyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115451488
1-[[(4-carbamoylphenyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115451138
1-[(thiophen-3-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115436981
1-[[(3-iodophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433937
1-[(4-methoxyphenoxy)methyl]cyclopentane-1-carboxylic acid
CID 82131438
1-[[(3-chloro-4-methylphenyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445346
1-[[(4-chloro-3-fluorophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115434138
1,3-bis(4-methoxyphenyl)urea
CID 139045428

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-methoxyphenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[(4-methoxyphenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid (CID 115433087) is 1-[[(4-methoxyphenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[(4-methoxyphenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[(4-methoxyphenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid is COc1ccc(NC(=O)NCC2(C(=O)O)CCCC2)cc1.
What is the InChIKey of 1-[[(4-methoxyphenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is HHJUQLCGVXBSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-21-12-6-4-11(5-7-12)17-14(20)16-10-15(13(18)19)8-2-3-9-15/h4-7H,2-3,8-10H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 1-[[(4-methoxyphenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid?
1-[[(4-methoxyphenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 2.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-methoxyphenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 115433087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).