2-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]-4-methylpentanoic acid

C19H26N2O4 — CID 119252709

IUPAC2-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]-4-methylpentanoic acid
SMILESCC(C)CC(CNC(=O)c1ccccc1N(C)C(=O)C1CC1)C(=O)O
InChIInChI=1S/C19H26N2O4/c1-12(2)10-14(19(24)25)11-20-17(22)15-6-4-5-7-16(15)21(3)18(23)13-8-9-13/h4-7,12-14H,8-11H2,1-3H3,(H,20,22)(H,24,25)
InChIKeyGDLGQXHOFYLTJX-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.54
Rot. Bonds8

About 2-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]-4-methylpentanoic acid

2-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]-4-methylpentanoic acid (PubChem CID 119252709) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]-4-methylpentanoic acid
PubChem CID119252709
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name2-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]-4-methylpentanoic acid
SMILESCC(C)CC(CNC(=O)c1ccccc1N(C)C(=O)C1CC1)C(=O)O
InChIInChI=1S/C19H26N2O4/c1-12(2)10-14(19(24)25)11-20-17(22)15-6-4-5-7-16(15)21(3)18(23)13-8-9-13/h4-7,12-14H,8-11H2,1-3H3,(H,20,22)(H,24,25)
InChIKeyGDLGQXHOFYLTJX-UHFFFAOYSA-N
XLogP2.54
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]-4-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-[cyclopropanecarbonyl(methyl)amino]-N-(2-phenylbutyl)benzamide
CID 46494345
2-[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]propanoic acid
CID 119224969
5-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110839
2-[cyclopropanecarbonyl(methyl)amino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide
CID 55966441
4-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]oxane-4-carboxylic acid
CID 120542790
N-[(1R)-1-(2-bromophenyl)ethyl]-2-[cyclopropanecarbonyl(methyl)amino]benzamide
CID 51959369
2-[[(3-fluoro-2-methylbenzoyl)amino]methyl]-4-methylpentanoic acid
CID 122108013
2-[[[2-(ethylsulfonylamino)benzoyl]amino]methyl]-4-methylpentanoic acid
CID 119253441
N-(3-acetamido-2-methylphenyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide
CID 86822897
2-[cyclopropanecarbonyl(methyl)amino]-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]benzamide
CID 46494346
N-(4-aminocyclohexyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide
CID 119478823
2-[cyclopropanecarbonyl(methyl)amino]-N-[4-(2-oxo-1-pyridinyl)butyl]benzamide
CID 86855571

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]-4-methylpentanoic acid?
The IUPAC name of 2-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]-4-methylpentanoic acid (CID 119252709) is 2-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]-4-methylpentanoic acid.
What is the SMILES notation for 2-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]-4-methylpentanoic acid?
The canonical SMILES for 2-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]-4-methylpentanoic acid is CC(C)CC(CNC(=O)c1ccccc1N(C)C(=O)C1CC1)C(=O)O.
What is the InChIKey of 2-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]-4-methylpentanoic acid?
The InChIKey is GDLGQXHOFYLTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-12(2)10-14(19(24)25)11-20-17(22)15-6-4-5-7-16(15)21(3)18(23)13-8-9-13/h4-7,12-14H,8-11H2,1-3H3,(H,20,22)(H,24,25).
What are the key properties of 2-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]-4-methylpentanoic acid?
2-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]-4-methylpentanoic acid has a molecular weight of 346.43 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]-4-methylpentanoic acid is sourced from PubChem (CID 119252709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).