2-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]pentanoic acid

C16H22N2O4 — CID 120534617

IUPAC2-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]pentanoic acid
SMILESCCCC(NC(=O)CNC(=O)c1ccc(C)c(C)c1)C(=O)O
InChIInChI=1S/C16H22N2O4/c1-4-5-13(16(21)22)18-14(19)9-17-15(20)12-7-6-10(2)11(3)8-12/h6-8,13H,4-5,9H2,1-3H3,(H,17,20)(H,18,19)(H,21,22)
InChIKeyFBFPIJPTBMLTCF-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.40
Rot. Bonds7

About 2-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]pentanoic acid

2-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]pentanoic acid (PubChem CID 120534617) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]pentanoic acid
PubChem CID120534617
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name2-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]pentanoic acid
SMILESCCCC(NC(=O)CNC(=O)c1ccc(C)c(C)c1)C(=O)O
InChIInChI=1S/C16H22N2O4/c1-4-5-13(16(21)22)18-14(19)9-17-15(20)12-7-6-10(2)11(3)8-12/h6-8,13H,4-5,9H2,1-3H3,(H,17,20)(H,18,19)(H,21,22)
InChIKeyFBFPIJPTBMLTCF-UHFFFAOYSA-N
XLogP1.40
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]pentanoic acid
CID 107563778
(2R)-2-[[2-[(4-bromobenzoyl)amino]acetyl]amino]pentanoic acid
CID 107563658
2-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]propanoic acid
CID 120523616
2-[(3,4-dimethylbenzoyl)amino]-4-hydroxybutanoic acid
CID 61243816
2-cyclopropyl-2-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]acetic acid
CID 120521115
3,4-dimethyl-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide
CID 7534879
N-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 26796426
3,4-dimethyl-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 32559240
N-[2-(1,1-diphenylpropan-2-ylamino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 46432021
3,4-dimethyl-N-[2-(propanoylamino)ethyl]benzamide
CID 108542747
2-[(3,4-dimethylbenzoyl)amino]-5-methoxypentanoic acid
CID 81077142
3,4-dimethyl-N-[2-oxo-2-(4-phenylanilino)ethyl]benzamide
CID 9414724

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]pentanoic acid?
The IUPAC name of 2-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]pentanoic acid (CID 120534617) is 2-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]pentanoic acid.
What is the SMILES notation for 2-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]pentanoic acid?
The canonical SMILES for 2-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]pentanoic acid is CCCC(NC(=O)CNC(=O)c1ccc(C)c(C)c1)C(=O)O.
What is the InChIKey of 2-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]pentanoic acid?
The InChIKey is FBFPIJPTBMLTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-4-5-13(16(21)22)18-14(19)9-17-15(20)12-7-6-10(2)11(3)8-12/h6-8,13H,4-5,9H2,1-3H3,(H,17,20)(H,18,19)(H,21,22).
What are the key properties of 2-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]pentanoic acid?
2-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]pentanoic acid has a molecular weight of 306.36 g/mol, XLogP of 1.40, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]pentanoic acid is sourced from PubChem (CID 120534617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).