1-[3-[carbamoyl(methyl)amino]phenyl]cyclopentane-1-carboxylic acid

C14H18N2O3 — CID 117410310

IUPAC1-[3-[carbamoyl(methyl)amino]phenyl]cyclopentane-1-carboxylic acid
SMILESCN(C(N)=O)c1cccc(C2(C(=O)O)CCCC2)c1
InChIInChI=1S/C14H18N2O3/c1-16(13(15)19)11-6-4-5-10(9-11)14(12(17)18)7-2-3-8-14/h4-6,9H,2-3,7-8H2,1H3,(H2,15,19)(H,17,18)
InChIKeyRQPVLTKXRNSQKD-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.10
Rot. Bonds3

About 1-[3-[carbamoyl(methyl)amino]phenyl]cyclopentane-1-carboxylic acid

1-[3-[carbamoyl(methyl)amino]phenyl]cyclopentane-1-carboxylic acid (PubChem CID 117410310) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-[3-[carbamoyl(methyl)amino]phenyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[3-[carbamoyl(methyl)amino]phenyl]cyclopentane-1-carboxylic acid
PubChem CID117410310
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-[3-[carbamoyl(methyl)amino]phenyl]cyclopentane-1-carboxylic acid
SMILESCN(C(N)=O)c1cccc(C2(C(=O)O)CCCC2)c1
InChIInChI=1S/C14H18N2O3/c1-16(13(15)19)11-6-4-5-10(9-11)14(12(17)18)7-2-3-8-14/h4-6,9H,2-3,7-8H2,1H3,(H2,15,19)(H,17,18)
InChIKeyRQPVLTKXRNSQKD-UHFFFAOYSA-N
XLogP2.10
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[carbamoyl(methyl)amino]phenyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[3-[carbamoyl(methyl)amino]phenyl]cyclopentane-1-carboxylic acid (CID 117410310) is 1-[3-[carbamoyl(methyl)amino]phenyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[3-[carbamoyl(methyl)amino]phenyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[3-[carbamoyl(methyl)amino]phenyl]cyclopentane-1-carboxylic acid is CN(C(N)=O)c1cccc(C2(C(=O)O)CCCC2)c1.
What is the InChIKey of 1-[3-[carbamoyl(methyl)amino]phenyl]cyclopentane-1-carboxylic acid?
The InChIKey is RQPVLTKXRNSQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-16(13(15)19)11-6-4-5-10(9-11)14(12(17)18)7-2-3-8-14/h4-6,9H,2-3,7-8H2,1H3,(H2,15,19)(H,17,18).
What are the key properties of 1-[3-[carbamoyl(methyl)amino]phenyl]cyclopentane-1-carboxylic acid?
1-[3-[carbamoyl(methyl)amino]phenyl]cyclopentane-1-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[carbamoyl(methyl)amino]phenyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117410310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).