3-[(2-benzamidoacetyl)amino]-3-cyclopropylpropanoic acid

C15H18N2O4 — CID 81368878

IUPAC3-[(2-benzamidoacetyl)amino]-3-cyclopropylpropanoic acid
SMILESO=C(O)CC(NC(=O)CNC(=O)c1ccccc1)C1CC1
InChIInChI=1S/C15H18N2O4/c18-13(17-12(8-14(19)20)10-6-7-10)9-16-15(21)11-4-2-1-3-5-11/h1-5,10,12H,6-9H2,(H,16,21)(H,17,18)(H,19,20)
InChIKeyJQLKHZZDNPKTNJ-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.79
Rot. Bonds7

About 3-[(2-benzamidoacetyl)amino]-3-cyclopropylpropanoic acid

3-[(2-benzamidoacetyl)amino]-3-cyclopropylpropanoic acid (PubChem CID 81368878) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-[(2-benzamidoacetyl)amino]-3-cyclopropylpropanoic acid.

Molecular Properties

Compound Name3-[(2-benzamidoacetyl)amino]-3-cyclopropylpropanoic acid
PubChem CID81368878
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name3-[(2-benzamidoacetyl)amino]-3-cyclopropylpropanoic acid
SMILESO=C(O)CC(NC(=O)CNC(=O)c1ccccc1)C1CC1
InChIInChI=1S/C15H18N2O4/c18-13(17-12(8-14(19)20)10-6-7-10)9-16-15(21)11-4-2-1-3-5-11/h1-5,10,12H,6-9H2,(H,16,21)(H,17,18)(H,19,20)
InChIKeyJQLKHZZDNPKTNJ-UHFFFAOYSA-N
XLogP0.79
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[(2-benzamidoacetyl)amino]-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

3-[(4-chlorobenzoyl)amino]-3-cyclopropylpropanoic acid
CID 81362129
2-[(2-benzamidoacetyl)amino]propanedioic acid
CID 44626300
3-cyclopropyl-3-(4-phenylbutanoylamino)propanoic acid
CID 81361645
N-[2-(cyclopropylmethylamino)-2-oxoethyl]benzamide
CID 25469630
2-benzamidoacetic acid;hydrofluoride
CID 174760685
N-[2-[[(R)-cyclopropyl(phenyl)methyl]amino]-2-oxoethyl]-3-hydroxybenzamide
CID 97309948
2-[(2-benzamidoacetyl)amino]-2-phenylacetic acid
CID 132917045
3-cyclopropyl-3-[(2,3-dihydroxybenzoyl)amino]propanoic acid
CID 114343445
3-[(3-cyanobenzoyl)amino]-3-cyclopropylpropanoic acid
CID 81361638
2-[[2-[(4-aminobenzoyl)amino]acetyl]amino]-2-cyclopropylacetic acid
CID 62697537
2-(3-benzamidopropanoylamino)-2-cyclopropylacetic acid
CID 62695902
N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutyl]benzamide
CID 119591993

Frequently Asked Questions

What is the IUPAC name of 3-[(2-benzamidoacetyl)amino]-3-cyclopropylpropanoic acid?
The IUPAC name of 3-[(2-benzamidoacetyl)amino]-3-cyclopropylpropanoic acid (CID 81368878) is 3-[(2-benzamidoacetyl)amino]-3-cyclopropylpropanoic acid.
What is the SMILES notation for 3-[(2-benzamidoacetyl)amino]-3-cyclopropylpropanoic acid?
The canonical SMILES for 3-[(2-benzamidoacetyl)amino]-3-cyclopropylpropanoic acid is O=C(O)CC(NC(=O)CNC(=O)c1ccccc1)C1CC1.
What is the InChIKey of 3-[(2-benzamidoacetyl)amino]-3-cyclopropylpropanoic acid?
The InChIKey is JQLKHZZDNPKTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c18-13(17-12(8-14(19)20)10-6-7-10)9-16-15(21)11-4-2-1-3-5-11/h1-5,10,12H,6-9H2,(H,16,21)(H,17,18)(H,19,20).
What are the key properties of 3-[(2-benzamidoacetyl)amino]-3-cyclopropylpropanoic acid?
3-[(2-benzamidoacetyl)amino]-3-cyclopropylpropanoic acid has a molecular weight of 290.32 g/mol, XLogP of 0.79, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-benzamidoacetyl)amino]-3-cyclopropylpropanoic acid is sourced from PubChem (CID 81368878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).