2-[N-(cyclopentylmethylcarbamoyl)-4-methylanilino]acetic acid

C16H22N2O3 — CID 61198585

IUPAC2-[N-(cyclopentylmethylcarbamoyl)-4-methylanilino]acetic acid
SMILESCc1ccc(N(CC(=O)O)C(=O)NCC2CCCC2)cc1
InChIInChI=1S/C16H22N2O3/c1-12-6-8-14(9-7-12)18(11-15(19)20)16(21)17-10-13-4-2-3-5-13/h6-9,13H,2-5,10-11H2,1H3,(H,17,21)(H,19,20)
InChIKeyQQXPWJIDCGXLHL-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.79
Rot. Bonds5

About 2-[N-(cyclopentylmethylcarbamoyl)-4-methylanilino]acetic acid

2-[N-(cyclopentylmethylcarbamoyl)-4-methylanilino]acetic acid (PubChem CID 61198585) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[N-(cyclopentylmethylcarbamoyl)-4-methylanilino]acetic acid.

Molecular Properties

Compound Name2-[N-(cyclopentylmethylcarbamoyl)-4-methylanilino]acetic acid
PubChem CID61198585
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[N-(cyclopentylmethylcarbamoyl)-4-methylanilino]acetic acid
SMILESCc1ccc(N(CC(=O)O)C(=O)NCC2CCCC2)cc1
InChIInChI=1S/C16H22N2O3/c1-12-6-8-14(9-7-12)18(11-15(19)20)16(21)17-10-13-4-2-3-5-13/h6-9,13H,2-5,10-11H2,1H3,(H,17,21)(H,19,20)
InChIKeyQQXPWJIDCGXLHL-UHFFFAOYSA-N
XLogP2.79
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[N-(1-cyclopropylpropan-2-ylcarbamoyl)-4-methylanilino]acetic acid
CID 63995347
2-[cyclohexylmethylcarbamoyl(methyl)amino]acetic acid
CID 43371697
2-[N-(thiolan-3-ylmethylcarbamoyl)anilino]acetic acid
CID 107297593
2-[carboxymethyl(cyclopentylmethylcarbamoyl)amino]acetic acid
CID 55246133
2-(4-methyl-N-[(2S)-piperidine-2-carbonyl]anilino)acetic acid
CID 104913597
2-[4-chloro-N-(thiolan-2-ylmethylcarbamoyl)anilino]acetic acid
CID 80584033
2-(N-[cyclopropyl(ethyl)carbamoyl]-4-methylanilino)acetic acid
CID 61194123
2-[N-(cyclohex-3-ene-1-carbonyl)-4-methylanilino]acetic acid
CID 60832118
2-(N-cyclobutyl-4-methylanilino)acetic acid
CID 65059457
2-[tert-butyl(cyclobutylmethylcarbamoyl)amino]acetic acid
CID 79257496
2-[cyclopropylmethylcarbamoyl(methyl)amino]acetic acid
CID 43135716
2-[4-hydroxy-N-[(2-methoxy-2-oxoethyl)carbamoyl]anilino]acetic acid
CID 61181285

Frequently Asked Questions

What is the IUPAC name of 2-[N-(cyclopentylmethylcarbamoyl)-4-methylanilino]acetic acid?
The IUPAC name of 2-[N-(cyclopentylmethylcarbamoyl)-4-methylanilino]acetic acid (CID 61198585) is 2-[N-(cyclopentylmethylcarbamoyl)-4-methylanilino]acetic acid.
What is the SMILES notation for 2-[N-(cyclopentylmethylcarbamoyl)-4-methylanilino]acetic acid?
The canonical SMILES for 2-[N-(cyclopentylmethylcarbamoyl)-4-methylanilino]acetic acid is Cc1ccc(N(CC(=O)O)C(=O)NCC2CCCC2)cc1.
What is the InChIKey of 2-[N-(cyclopentylmethylcarbamoyl)-4-methylanilino]acetic acid?
The InChIKey is QQXPWJIDCGXLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12-6-8-14(9-7-12)18(11-15(19)20)16(21)17-10-13-4-2-3-5-13/h6-9,13H,2-5,10-11H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 2-[N-(cyclopentylmethylcarbamoyl)-4-methylanilino]acetic acid?
2-[N-(cyclopentylmethylcarbamoyl)-4-methylanilino]acetic acid has a molecular weight of 290.36 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(cyclopentylmethylcarbamoyl)-4-methylanilino]acetic acid is sourced from PubChem (CID 61198585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).