methyl (2S,3R)-3-hydroxy-2-(3-phenylpropanoylamino)butanoate

C14H19NO4 — CID 102464818

IUPACmethyl (2S,3R)-3-hydroxy-2-(3-phenylpropanoylamino)butanoate
SMILESCOC(=O)[C@@H](NC(=O)CCc1ccccc1)[C@@H](C)O
InChIInChI=1S/C14H19NO4/c1-10(16)13(14(18)19-2)15-12(17)9-8-11-6-4-3-5-7-11/h3-7,10,13,16H,8-9H2,1-2H3,(H,15,17)/t10-,13+/m1/s1
InChIKeyUTYXNVZLVOIZOP-MFKMUULPSA-N
MW265.31 g/mol
LogP0.66
Rot. Bonds6

About methyl (2S,3R)-3-hydroxy-2-(3-phenylpropanoylamino)butanoate

methyl (2S,3R)-3-hydroxy-2-(3-phenylpropanoylamino)butanoate (PubChem CID 102464818) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl (2S,3R)-3-hydroxy-2-(3-phenylpropanoylamino)butanoate.

Molecular Properties

Compound Namemethyl (2S,3R)-3-hydroxy-2-(3-phenylpropanoylamino)butanoate
PubChem CID102464818
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl (2S,3R)-3-hydroxy-2-(3-phenylpropanoylamino)butanoate
SMILESCOC(=O)[C@@H](NC(=O)CCc1ccccc1)[C@@H](C)O
InChIInChI=1S/C14H19NO4/c1-10(16)13(14(18)19-2)15-12(17)9-8-11-6-4-3-5-7-11/h3-7,10,13,16H,8-9H2,1-2H3,(H,15,17)/t10-,13+/m1/s1
InChIKeyUTYXNVZLVOIZOP-MFKMUULPSA-N
XLogP0.66
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl (2S,3R)-3-hydroxy-2-(3-phenylpropanoylamino)butanoate 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

methyl 3-hydroxy-2-(3-phenylpropanoylamino)propanoate
CID 19957018
(2S,3R)-2-[3-(4-aminophenyl)propanoylamino]-3-hydroxybutanoic acid
CID 104965265
N-[(2S)-1-methoxy-3-methylbutan-2-yl]-3-phenylpropanamide
CID 56593002
methyl 3-(N-phenylanilino)-2-(3-phenylpropanoylamino)propanoate
CID 70820124
3-hydroxy-2-(3-pyridin-4-ylpropanoylamino)butanoic acid
CID 113269883
methyl 2-[3-(3-bromophenyl)propanoylamino]-3-methylbutanoate
CID 43404120
methyl 3-methyl-2-[(4-oxo-4-phenylbutanoyl)amino]butanoate
CID 86978264
methyl 2-methyl-3-oxo-5-phenylpentanoate
CID 12583050
1-(3-phenylpropanoylamino)ethyl acetate
CID 174586690
methyl (2R)-2-hydroxy-4-phenylbutanoate
CID 10878023
N-(2-methoxyethoxy)-3-phenylpropanamide
CID 79676400
[3-methyl-1-(3-phenylpropanoylamino)butyl]boronic acid
CID 3744655

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3R)-3-hydroxy-2-(3-phenylpropanoylamino)butanoate?
The IUPAC name of methyl (2S,3R)-3-hydroxy-2-(3-phenylpropanoylamino)butanoate (CID 102464818) is methyl (2S,3R)-3-hydroxy-2-(3-phenylpropanoylamino)butanoate.
What is the SMILES notation for methyl (2S,3R)-3-hydroxy-2-(3-phenylpropanoylamino)butanoate?
The canonical SMILES for methyl (2S,3R)-3-hydroxy-2-(3-phenylpropanoylamino)butanoate is COC(=O)[C@@H](NC(=O)CCc1ccccc1)[C@@H](C)O.
What is the InChIKey of methyl (2S,3R)-3-hydroxy-2-(3-phenylpropanoylamino)butanoate?
The InChIKey is UTYXNVZLVOIZOP-MFKMUULPSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10(16)13(14(18)19-2)15-12(17)9-8-11-6-4-3-5-7-11/h3-7,10,13,16H,8-9H2,1-2H3,(H,15,17)/t10-,13+/m1/s1.
What are the key properties of methyl (2S,3R)-3-hydroxy-2-(3-phenylpropanoylamino)butanoate?
methyl (2S,3R)-3-hydroxy-2-(3-phenylpropanoylamino)butanoate has a molecular weight of 265.31 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3R)-3-hydroxy-2-(3-phenylpropanoylamino)butanoate is sourced from PubChem (CID 102464818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).