(2S)-2-[[(2R)-2-benzamido-3-naphthalen-2-ylpropanoyl]amino]propanoic acid

C23H22N2O4 — CID 71136157

IUPAC(2S)-2-[[(2R)-2-benzamido-3-naphthalen-2-ylpropanoyl]amino]propanoic acid
SMILESC[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C23H22N2O4/c1-15(23(28)29)24-22(27)20(25-21(26)18-8-3-2-4-9-18)14-16-11-12-17-7-5-6-10-19(17)13-16/h2-13,15,20H,14H2,1H3,(H,24,27)(H,25,26)(H,28,29)/t15-,20+/m0/s1
InChIKeySMLHLYWRXQVICA-MGPUTAFESA-N
MW390.44 g/mol
LogP2.77
Rot. Bonds7

About (2S)-2-[[(2R)-2-benzamido-3-naphthalen-2-ylpropanoyl]amino]propanoic acid

(2S)-2-[[(2R)-2-benzamido-3-naphthalen-2-ylpropanoyl]amino]propanoic acid (PubChem CID 71136157) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is (2S)-2-[[(2R)-2-benzamido-3-naphthalen-2-ylpropanoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[(2R)-2-benzamido-3-naphthalen-2-ylpropanoyl]amino]propanoic acid
PubChem CID71136157
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name(2S)-2-[[(2R)-2-benzamido-3-naphthalen-2-ylpropanoyl]amino]propanoic acid
SMILESC[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C23H22N2O4/c1-15(23(28)29)24-22(27)20(25-21(26)18-8-3-2-4-9-18)14-16-11-12-17-7-5-6-10-19(17)13-16/h2-13,15,20H,14H2,1H3,(H,24,27)(H,25,26)(H,28,29)/t15-,20+/m0/s1
InChIKeySMLHLYWRXQVICA-MGPUTAFESA-N
XLogP2.77
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[[(2R)-2-benzamido-3-naphthalen-2-ylpropanoyl]amino]propanoic 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

(2S)-2-benzamido-3-naphthalen-2-ylpropanoic acid
CID 18652421
N-[(2R)-1-[[(2S)-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]benzamide
CID 56598017
(2S)-2-[[(2R)-2-benzamido-3-phenylpropanoyl]amino]propanoate
CID 2282453
(2S)-2-[[(2S)-2-[(4-tert-butylbenzoyl)amino]-3-phenylpropanoyl]amino]propanoic acid
CID 102602635
(2R)-2-[[(2R)-2-benzamido-3-(4-fluorophenyl)propanoyl]amino]propanoate
CID 2282482
(2S)-2-[[(2R)-2-benzamido-3-(4-fluorophenyl)propanoyl]amino]propanoate
CID 2282480
3-[[(2S)-2-[(2-naphthalen-2-ylacetyl)amino]-3-phenylpropanoyl]amino]-2-oxobutanamide
CID 138480869
2-benzamido-3-(6-benzoyloxynaphthalen-2-yl)propanoic acid
CID 141449215
(2R)-2-[[(2R)-2-benzamido-3-phenylpropanoyl]amino]-3-methylbutanoic acid
CID 2282526
2-[[(2S)-2-[[(2S)-2-benzamido-3-phenylpropanoyl]amino]propanoyl]amino]acetic acid
CID 71135839
N-[1-[3-[(2-benzamido-3-phenylpropanoyl)amino]butylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 123444182
(2S)-2-[[(2R)-2-benzamido-3-phenylpropanoyl]amino]-4-methylpentanoic acid
CID 7324596

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2R)-2-benzamido-3-naphthalen-2-ylpropanoyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[(2R)-2-benzamido-3-naphthalen-2-ylpropanoyl]amino]propanoic acid (CID 71136157) is (2S)-2-[[(2R)-2-benzamido-3-naphthalen-2-ylpropanoyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[(2R)-2-benzamido-3-naphthalen-2-ylpropanoyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[(2R)-2-benzamido-3-naphthalen-2-ylpropanoyl]amino]propanoic acid is C[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)c1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-[[(2R)-2-benzamido-3-naphthalen-2-ylpropanoyl]amino]propanoic acid?
The InChIKey is SMLHLYWRXQVICA-MGPUTAFESA-N. The full InChI is InChI=1S/C23H22N2O4/c1-15(23(28)29)24-22(27)20(25-21(26)18-8-3-2-4-9-18)14-16-11-12-17-7-5-6-10-19(17)13-16/h2-13,15,20H,14H2,1H3,(H,24,27)(H,25,26)(H,28,29)/t15-,20+/m0/s1.
What are the key properties of (2S)-2-[[(2R)-2-benzamido-3-naphthalen-2-ylpropanoyl]amino]propanoic acid?
(2S)-2-[[(2R)-2-benzamido-3-naphthalen-2-ylpropanoyl]amino]propanoic acid has a molecular weight of 390.44 g/mol, XLogP of 2.77, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2R)-2-benzamido-3-naphthalen-2-ylpropanoyl]amino]propanoic acid is sourced from PubChem (CID 71136157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).