methyl (2S)-2-[[(2S)-3-hydroxy-2-methylpropanoyl]amino]-3-phenylpropanoate

C14H19NO4 — CID 6636171

IUPACmethyl (2S)-2-[[(2S)-3-hydroxy-2-methylpropanoyl]amino]-3-phenylpropanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)CO
InChIInChI=1S/C14H19NO4/c1-10(9-16)13(17)15-12(14(18)19-2)8-11-6-4-3-5-7-11/h3-7,10,12,16H,8-9H2,1-2H3,(H,15,17)/t10-,12-/m0/s1
InChIKeyBJMMIBRPMVVPHK-JQWIXIFHSA-N
MW265.31 g/mol
LogP0.52
Rot. Bonds6

About methyl (2S)-2-[[(2S)-3-hydroxy-2-methylpropanoyl]amino]-3-phenylpropanoate

methyl (2S)-2-[[(2S)-3-hydroxy-2-methylpropanoyl]amino]-3-phenylpropanoate (PubChem CID 6636171) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl (2S)-2-[[(2S)-3-hydroxy-2-methylpropanoyl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[(2S)-3-hydroxy-2-methylpropanoyl]amino]-3-phenylpropanoate
PubChem CID6636171
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl (2S)-2-[[(2S)-3-hydroxy-2-methylpropanoyl]amino]-3-phenylpropanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)CO
InChIInChI=1S/C14H19NO4/c1-10(9-16)13(17)15-12(14(18)19-2)8-11-6-4-3-5-7-11/h3-7,10,12,16H,8-9H2,1-2H3,(H,15,17)/t10-,12-/m0/s1
InChIKeyBJMMIBRPMVVPHK-JQWIXIFHSA-N
XLogP0.52
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 ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl (2S)-2-[[(2S)-3-hydroxy-2-methylpropanoyl]amino]-3-phenylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[(2S)-3-hydroxy-2-methylpropanoyl]amino]-3-phenylpropanoate?
The IUPAC name of methyl (2S)-2-[[(2S)-3-hydroxy-2-methylpropanoyl]amino]-3-phenylpropanoate (CID 6636171) is methyl (2S)-2-[[(2S)-3-hydroxy-2-methylpropanoyl]amino]-3-phenylpropanoate.
What is the SMILES notation for methyl (2S)-2-[[(2S)-3-hydroxy-2-methylpropanoyl]amino]-3-phenylpropanoate?
The canonical SMILES for methyl (2S)-2-[[(2S)-3-hydroxy-2-methylpropanoyl]amino]-3-phenylpropanoate is COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)CO.
What is the InChIKey of methyl (2S)-2-[[(2S)-3-hydroxy-2-methylpropanoyl]amino]-3-phenylpropanoate?
The InChIKey is BJMMIBRPMVVPHK-JQWIXIFHSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10(9-16)13(17)15-12(14(18)19-2)8-11-6-4-3-5-7-11/h3-7,10,12,16H,8-9H2,1-2H3,(H,15,17)/t10-,12-/m0/s1.
What are the key properties of methyl (2S)-2-[[(2S)-3-hydroxy-2-methylpropanoyl]amino]-3-phenylpropanoate?
methyl (2S)-2-[[(2S)-3-hydroxy-2-methylpropanoyl]amino]-3-phenylpropanoate has a molecular weight of 265.31 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[(2S)-3-hydroxy-2-methylpropanoyl]amino]-3-phenylpropanoate is sourced from PubChem (CID 6636171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).