methyl 3-hydroxy-2-(3-phenylpropanoylamino)propanoate

C13H17NO4 — CID 19957018

IUPACmethyl 3-hydroxy-2-(3-phenylpropanoylamino)propanoate
SMILESCOC(=O)C(CO)NC(=O)CCc1ccccc1
InChIInChI=1S/C13H17NO4/c1-18-13(17)11(9-15)14-12(16)8-7-10-5-3-2-4-6-10/h2-6,11,15H,7-9H2,1H3,(H,14,16)
InChIKeySMIWZDSKRIQOAZ-UHFFFAOYSA-N
MW251.28 g/mol
LogP0.27
Rot. Bonds6

About methyl 3-hydroxy-2-(3-phenylpropanoylamino)propanoate

methyl 3-hydroxy-2-(3-phenylpropanoylamino)propanoate (PubChem CID 19957018) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is methyl 3-hydroxy-2-(3-phenylpropanoylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-(3-phenylpropanoylamino)propanoate
PubChem CID19957018
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Namemethyl 3-hydroxy-2-(3-phenylpropanoylamino)propanoate
SMILESCOC(=O)C(CO)NC(=O)CCc1ccccc1
InChIInChI=1S/C13H17NO4/c1-18-13(17)11(9-15)14-12(16)8-7-10-5-3-2-4-6-10/h2-6,11,15H,7-9H2,1H3,(H,14,16)
InChIKeySMIWZDSKRIQOAZ-UHFFFAOYSA-N
XLogP0.27
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 3-hydroxy-2-(3-phenylpropanoylamino)propanoate 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-(N-phenylanilino)-2-(3-phenylpropanoylamino)propanoate
CID 70820124
methyl (2R)-2-(3-phenylpropanoylamino)-3-(trifluoromethylsulfonyl)propanoate
CID 101227987
methyl 3-hydroxy-2-(3-phenylsulfanylpropanoylamino)propanoate
CID 43405741
methyl (2S)-2-[[2-[[(2S)-2-acetamido-4-phenylbutanoyl]amino]acetyl]amino]-3-hydroxypropanoate
CID 70328004
methyl (2S,3R)-3-hydroxy-2-(3-phenylpropanoylamino)butanoate
CID 102464818
methyl (2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoate
CID 6999535
methyl (2R)-2-(4-hydroxybutanoylamino)-3-phenylpropanoate
CID 170714633
methyl 3-hydroxy-2-(3-phenylpropylamino)propanoate
CID 15193085
methyl 2-(5-hydroxypentanoylamino)-3-phenylpropanoate
CID 79198729
methyl (2R)-3-hydroxy-2-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]propanoate
CID 9277684
4-oxo-3-(3-phenylpropanoylamino)pentanoic acid
CID 22339955
methyl (2R)-3-hydroxy-2-[[5-[[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]amino]-5-oxopentanoyl]amino]propanoate
CID 90449496

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-(3-phenylpropanoylamino)propanoate?
The IUPAC name of methyl 3-hydroxy-2-(3-phenylpropanoylamino)propanoate (CID 19957018) is methyl 3-hydroxy-2-(3-phenylpropanoylamino)propanoate.
What is the SMILES notation for methyl 3-hydroxy-2-(3-phenylpropanoylamino)propanoate?
The canonical SMILES for methyl 3-hydroxy-2-(3-phenylpropanoylamino)propanoate is COC(=O)C(CO)NC(=O)CCc1ccccc1.
What is the InChIKey of methyl 3-hydroxy-2-(3-phenylpropanoylamino)propanoate?
The InChIKey is SMIWZDSKRIQOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-18-13(17)11(9-15)14-12(16)8-7-10-5-3-2-4-6-10/h2-6,11,15H,7-9H2,1H3,(H,14,16).
What are the key properties of methyl 3-hydroxy-2-(3-phenylpropanoylamino)propanoate?
methyl 3-hydroxy-2-(3-phenylpropanoylamino)propanoate has a molecular weight of 251.28 g/mol, XLogP of 0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-(3-phenylpropanoylamino)propanoate is sourced from PubChem (CID 19957018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).