3-methyl-2-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]pentanoic acid

C17H25N3O4 — CID 119211691

IUPAC3-methyl-2-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]pentanoic acid
SMILESCCC(C)C(NC(=O)c1cccc(NC(=O)NC(C)C)c1)C(=O)O
InChIInChI=1S/C17H25N3O4/c1-5-11(4)14(16(22)23)20-15(21)12-7-6-8-13(9-12)19-17(24)18-10(2)3/h6-11,14H,5H2,1-4H3,(H,20,21)(H,22,23)(H2,18,19,24)
InChIKeyFTWAOCREZCUHSQ-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.45
Rot. Bonds7

About 3-methyl-2-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]pentanoic acid

3-methyl-2-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]pentanoic acid (PubChem CID 119211691) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 3-methyl-2-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]pentanoic acid.

Molecular Properties

Compound Name3-methyl-2-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]pentanoic acid
PubChem CID119211691
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name3-methyl-2-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]pentanoic acid
SMILESCCC(C)C(NC(=O)c1cccc(NC(=O)NC(C)C)c1)C(=O)O
InChIInChI=1S/C17H25N3O4/c1-5-11(4)14(16(22)23)20-15(21)12-7-6-8-13(9-12)19-17(24)18-10(2)3/h6-11,14H,5H2,1-4H3,(H,20,21)(H,22,23)(H2,18,19,24)
InChIKeyFTWAOCREZCUHSQ-UHFFFAOYSA-N
XLogP2.45
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 3-methyl-2-[[3-(propan-2-ylcarbamoylamino)benzoyl]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

N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 86983303
2-[[3-(benzenesulfonamido)benzoyl]amino]-3-methylpentanoic acid
CID 119211489
(2S,3S)-3-methyl-2-[(3-methylphenyl)carbamoylamino]pentanoic acid
CID 28509192
2-[(3-carbamoylbenzoyl)amino]-3-methylpentanoic acid
CID 60858023
(2R)-4-methyl-2-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]pentanoic acid
CID 119364531
(2S,3S)-3-methyl-2-[(3-propan-2-ylphenyl)carbamoylamino]pentanoic acid
CID 61194996
2-[(3-fluorobenzoyl)amino]-3-methylpentanoic acid
CID 16774745
(2S,3R)-2-[(3-methoxyphenyl)carbamoylamino]-3-methylpentanoic acid
CID 938942
N-[3-(propanoylamino)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 38043079
(2S,3S)-3-methyl-2-[[4-(phenylcarbamoyl)benzoyl]amino]pentanoic acid
CID 120517451
N-methoxy-3-(propan-2-ylcarbamoylamino)benzamide
CID 38039799
(2S)-3-methyl-2-[(3-methylsulfonylbenzoyl)amino]pentanoic acid
CID 61173413

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]pentanoic acid?
The IUPAC name of 3-methyl-2-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]pentanoic acid (CID 119211691) is 3-methyl-2-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]pentanoic acid.
What is the SMILES notation for 3-methyl-2-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]pentanoic acid?
The canonical SMILES for 3-methyl-2-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]pentanoic acid is CCC(C)C(NC(=O)c1cccc(NC(=O)NC(C)C)c1)C(=O)O.
What is the InChIKey of 3-methyl-2-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]pentanoic acid?
The InChIKey is FTWAOCREZCUHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-5-11(4)14(16(22)23)20-15(21)12-7-6-8-13(9-12)19-17(24)18-10(2)3/h6-11,14H,5H2,1-4H3,(H,20,21)(H,22,23)(H2,18,19,24).
What are the key properties of 3-methyl-2-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]pentanoic acid?
3-methyl-2-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]pentanoic acid has a molecular weight of 335.40 g/mol, XLogP of 2.45, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]pentanoic acid is sourced from PubChem (CID 119211691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).