(2S)-2-[(2-methoxy-2-phenylpropanoyl)amino]propanoic acid

C13H17NO4 — CID 119238650

IUPAC(2S)-2-[(2-methoxy-2-phenylpropanoyl)amino]propanoic acid
SMILESCOC(C)(C(=O)N[C@@H](C)C(=O)O)c1ccccc1
InChIInChI=1S/C13H17NO4/c1-9(11(15)16)14-12(17)13(2,18-3)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,14,17)(H,15,16)/t9-,13?/m0/s1
InChIKeyZYZBKXFQNGFJJX-LLTODGECSA-N
MW251.28 g/mol
LogP1.14
Rot. Bonds5

About (2S)-2-[(2-methoxy-2-phenylpropanoyl)amino]propanoic acid

(2S)-2-[(2-methoxy-2-phenylpropanoyl)amino]propanoic acid (PubChem CID 119238650) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is (2S)-2-[(2-methoxy-2-phenylpropanoyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-methoxy-2-phenylpropanoyl)amino]propanoic acid
PubChem CID119238650
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name(2S)-2-[(2-methoxy-2-phenylpropanoyl)amino]propanoic acid
SMILESCOC(C)(C(=O)N[C@@H](C)C(=O)O)c1ccccc1
InChIInChI=1S/C13H17NO4/c1-9(11(15)16)14-12(17)13(2,18-3)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,14,17)(H,15,16)/t9-,13?/m0/s1
InChIKeyZYZBKXFQNGFJJX-LLTODGECSA-N
XLogP1.14
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[(2-methoxy-2-phenylpropanoyl)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-[(2-amino-2-phenylpropanoyl)amino]propanoic acid
CID 78991003
3-[(2-methoxy-2-phenylpropanoyl)amino]-2-methylpropanoic acid
CID 119237712
2-methoxy-2-phenylpropanehydrazide
CID 138489021
2-[[2-(3-bromophenyl)-2-methylpropanoyl]amino]propanoic acid
CID 119225762
2-(2-phenylpropan-2-ylcarbamoylamino)propanoic acid
CID 110490509
azane;(2S)-2-(carbamoylamino)propanoic acid;triphenylmethanethiol;hydrate
CID 167709796
2-[[2-(2-ethylphenoxy)-2-methylpropanoyl]amino]propanoic acid
CID 82043617
2-[[2-(4-chlorophenyl)-2-methylpropanoyl]amino]propanoic acid
CID 110466165
2-amino-N-(1-amino-1-oxopropan-2-yl)-2-phenylpropanamide
CID 62488756
(2S)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-2-hydroxy-2-phenylpropanamide
CID 58533163
2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-2-phenylpropanamide
CID 120587567
(2R)-2-[[3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenylpropanoyl]amino]propanoic acid
CID 119243708

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-methoxy-2-phenylpropanoyl)amino]propanoic acid?
The IUPAC name of (2S)-2-[(2-methoxy-2-phenylpropanoyl)amino]propanoic acid (CID 119238650) is (2S)-2-[(2-methoxy-2-phenylpropanoyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[(2-methoxy-2-phenylpropanoyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[(2-methoxy-2-phenylpropanoyl)amino]propanoic acid is COC(C)(C(=O)N[C@@H](C)C(=O)O)c1ccccc1.
What is the InChIKey of (2S)-2-[(2-methoxy-2-phenylpropanoyl)amino]propanoic acid?
The InChIKey is ZYZBKXFQNGFJJX-LLTODGECSA-N. The full InChI is InChI=1S/C13H17NO4/c1-9(11(15)16)14-12(17)13(2,18-3)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,14,17)(H,15,16)/t9-,13?/m0/s1.
What are the key properties of (2S)-2-[(2-methoxy-2-phenylpropanoyl)amino]propanoic acid?
(2S)-2-[(2-methoxy-2-phenylpropanoyl)amino]propanoic acid has a molecular weight of 251.28 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-methoxy-2-phenylpropanoyl)amino]propanoic acid is sourced from PubChem (CID 119238650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).