2-[(3-carbamoylbenzoyl)amino]-3-methylpentanoic acid

C14H18N2O4 — CID 60858023

IUPAC2-[(3-carbamoylbenzoyl)amino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)c1cccc(C(N)=O)c1)C(=O)O
InChIInChI=1S/C14H18N2O4/c1-3-8(2)11(14(19)20)16-13(18)10-6-4-5-9(7-10)12(15)17/h4-8,11H,3H2,1-2H3,(H2,15,17)(H,16,18)(H,19,20)
InChIKeyLWWDZPXAJCEZKF-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.01
Rot. Bonds6

About 2-[(3-carbamoylbenzoyl)amino]-3-methylpentanoic acid

2-[(3-carbamoylbenzoyl)amino]-3-methylpentanoic acid (PubChem CID 60858023) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[(3-carbamoylbenzoyl)amino]-3-methylpentanoic acid.

Molecular Properties

Compound Name2-[(3-carbamoylbenzoyl)amino]-3-methylpentanoic acid
PubChem CID60858023
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-[(3-carbamoylbenzoyl)amino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)c1cccc(C(N)=O)c1)C(=O)O
InChIInChI=1S/C14H18N2O4/c1-3-8(2)11(14(19)20)16-13(18)10-6-4-5-9(7-10)12(15)17/h4-8,11H,3H2,1-2H3,(H2,15,17)(H,16,18)(H,19,20)
InChIKeyLWWDZPXAJCEZKF-UHFFFAOYSA-N
XLogP1.01
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(3-carbamoylbenzoyl)amino]-3-methylpentanoic 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

2-[(3-carbamoylbenzoyl)amino]-3-methylbutanoic acid
CID 60859011
2-[(3-fluorobenzoyl)amino]-3-methylpentanoic acid
CID 16774745
2-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]-3-methylpentanoic acid
CID 119211823
3-methyl-2-[(3-pyrrol-1-ylbenzoyl)amino]pentanoic acid
CID 119212163
(2S)-2-[[3-(methoxymethyl)benzoyl]amino]-3-methylpentanoic acid
CID 61172026
3-methyl-2-[(3-methylsulfonylbenzoyl)amino]pentanoic acid
CID 16774130
3-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]pentanoic acid
CID 43079375
(2S)-3-methyl-2-[(3-methylsulfonylbenzoyl)amino]pentanoic acid
CID 61173413
3-methyl-2-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]pentanoic acid
CID 119211691
(2S)-3-methyl-2-[(3-nitrobenzoyl)amino]pentanoic acid
CID 61172538
2-[[3-(benzenesulfonamido)benzoyl]amino]-3-methylpentanoic acid
CID 119211489
2-[[3-(cyanomethyl)benzoyl]amino]-3-methylpentanoic acid
CID 119211907

Frequently Asked Questions

What is the IUPAC name of 2-[(3-carbamoylbenzoyl)amino]-3-methylpentanoic acid?
The IUPAC name of 2-[(3-carbamoylbenzoyl)amino]-3-methylpentanoic acid (CID 60858023) is 2-[(3-carbamoylbenzoyl)amino]-3-methylpentanoic acid.
What is the SMILES notation for 2-[(3-carbamoylbenzoyl)amino]-3-methylpentanoic acid?
The canonical SMILES for 2-[(3-carbamoylbenzoyl)amino]-3-methylpentanoic acid is CCC(C)C(NC(=O)c1cccc(C(N)=O)c1)C(=O)O.
What is the InChIKey of 2-[(3-carbamoylbenzoyl)amino]-3-methylpentanoic acid?
The InChIKey is LWWDZPXAJCEZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-3-8(2)11(14(19)20)16-13(18)10-6-4-5-9(7-10)12(15)17/h4-8,11H,3H2,1-2H3,(H2,15,17)(H,16,18)(H,19,20).
What are the key properties of 2-[(3-carbamoylbenzoyl)amino]-3-methylpentanoic acid?
2-[(3-carbamoylbenzoyl)amino]-3-methylpentanoic acid has a molecular weight of 278.31 g/mol, XLogP of 1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-carbamoylbenzoyl)amino]-3-methylpentanoic acid is sourced from PubChem (CID 60858023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).