2-[[(3-benzamido-3-phenylpropanoyl)amino]methyl]-3-cyclopropylpropanoic acid

C23H26N2O4 — CID 166240795

IUPAC2-[[(3-benzamido-3-phenylpropanoyl)amino]methyl]-3-cyclopropylpropanoic acid
SMILESO=C(CC(NC(=O)c1ccccc1)c1ccccc1)NCC(CC1CC1)C(=O)O
InChIInChI=1S/C23H26N2O4/c26-21(24-15-19(23(28)29)13-16-11-12-16)14-20(17-7-3-1-4-8-17)25-22(27)18-9-5-2-6-10-18/h1-10,16,19-20H,11-15H2,(H,24,26)(H,25,27)(H,28,29)
InChIKeyVGQDOJGJYPXGNT-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.16
Rot. Bonds10

About 2-[[(3-benzamido-3-phenylpropanoyl)amino]methyl]-3-cyclopropylpropanoic acid

2-[[(3-benzamido-3-phenylpropanoyl)amino]methyl]-3-cyclopropylpropanoic acid (PubChem CID 166240795) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 2-[[(3-benzamido-3-phenylpropanoyl)amino]methyl]-3-cyclopropylpropanoic acid.

Molecular Properties

Compound Name2-[[(3-benzamido-3-phenylpropanoyl)amino]methyl]-3-cyclopropylpropanoic acid
PubChem CID166240795
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name2-[[(3-benzamido-3-phenylpropanoyl)amino]methyl]-3-cyclopropylpropanoic acid
SMILESO=C(CC(NC(=O)c1ccccc1)c1ccccc1)NCC(CC1CC1)C(=O)O
InChIInChI=1S/C23H26N2O4/c26-21(24-15-19(23(28)29)13-16-11-12-16)14-20(17-7-3-1-4-8-17)25-22(27)18-9-5-2-6-10-18/h1-10,16,19-20H,11-15H2,(H,24,26)(H,25,27)(H,28,29)
InChIKeyVGQDOJGJYPXGNT-UHFFFAOYSA-N
XLogP3.16
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[(3-benzamido-3-phenylpropanoyl)amino]methyl]-3-cyclopropylpropanoic 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-benzamido-3-phenylpropanoyl)amino]-2-cyclopropylacetic acid
CID 119213741
N-[(1S)-3-(ethylamino)-3-oxo-1-phenylpropyl]benzamide
CID 94041793
N-[3-(cyclohex-3-en-1-ylmethylamino)-3-oxo-1-phenylpropyl]benzamide
CID 48875034
N-[3-oxo-1-phenyl-3-(piperidin-3-ylmethylamino)propyl]benzamide
CID 119461783
3-benzamido-3-phenylpropanoic acid
CID 2834576
(3S)-3-benzamido-3-phenylpropanoic acid
CID 788098
N-[(1R)-3-(cycloheptylamino)-3-oxo-1-phenylpropyl]benzamide
CID 2547647
N-[(1R)-3-[[2-(ethylamino)-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 9224578
N-[(1R)-3-[[2-(dimethylamino)-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 9480729
N-[3-[(4-hydroxypyrrolidin-3-yl)methylamino]-3-oxo-1-phenylpropyl]benzamide;hydrochloride
CID 120945393
N-[3-[3-(methylamino)propylamino]-3-oxo-1-phenylpropyl]benzamide
CID 119431387
N-[(1S)-3-[2-(diethylamino)ethylamino]-3-oxo-1-phenylpropyl]benzamide
CID 94336143

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-benzamido-3-phenylpropanoyl)amino]methyl]-3-cyclopropylpropanoic acid?
The IUPAC name of 2-[[(3-benzamido-3-phenylpropanoyl)amino]methyl]-3-cyclopropylpropanoic acid (CID 166240795) is 2-[[(3-benzamido-3-phenylpropanoyl)amino]methyl]-3-cyclopropylpropanoic acid.
What is the SMILES notation for 2-[[(3-benzamido-3-phenylpropanoyl)amino]methyl]-3-cyclopropylpropanoic acid?
The canonical SMILES for 2-[[(3-benzamido-3-phenylpropanoyl)amino]methyl]-3-cyclopropylpropanoic acid is O=C(CC(NC(=O)c1ccccc1)c1ccccc1)NCC(CC1CC1)C(=O)O.
What is the InChIKey of 2-[[(3-benzamido-3-phenylpropanoyl)amino]methyl]-3-cyclopropylpropanoic acid?
The InChIKey is VGQDOJGJYPXGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c26-21(24-15-19(23(28)29)13-16-11-12-16)14-20(17-7-3-1-4-8-17)25-22(27)18-9-5-2-6-10-18/h1-10,16,19-20H,11-15H2,(H,24,26)(H,25,27)(H,28,29).
What are the key properties of 2-[[(3-benzamido-3-phenylpropanoyl)amino]methyl]-3-cyclopropylpropanoic acid?
2-[[(3-benzamido-3-phenylpropanoyl)amino]methyl]-3-cyclopropylpropanoic acid has a molecular weight of 394.47 g/mol, XLogP of 3.16, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-benzamido-3-phenylpropanoyl)amino]methyl]-3-cyclopropylpropanoic acid is sourced from PubChem (CID 166240795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).