methyl (2S)-3-hydroxy-2-[[(3R)-3-methoxy-4-phenylmethoxybutanoyl]amino]propanoate

C16H23NO6 — CID 11301792

IUPACmethyl (2S)-3-hydroxy-2-[[(3R)-3-methoxy-4-phenylmethoxybutanoyl]amino]propanoate
SMILESCOC(=O)[C@H](CO)NC(=O)C[C@H](COCc1ccccc1)OC
InChIInChI=1S/C16H23NO6/c1-21-13(11-23-10-12-6-4-3-5-7-12)8-15(19)17-14(9-18)16(20)22-2/h3-7,13-14,18H,8-11H2,1-2H3,(H,17,19)/t13-,14+/m1/s1
InChIKeyPKTSONHXGKXPTF-KGLIPLIRSA-N
MW325.36 g/mol
LogP0.26
Rot. Bonds10

About methyl (2S)-3-hydroxy-2-[[(3R)-3-methoxy-4-phenylmethoxybutanoyl]amino]propanoate

methyl (2S)-3-hydroxy-2-[[(3R)-3-methoxy-4-phenylmethoxybutanoyl]amino]propanoate (PubChem CID 11301792) has the molecular formula C16H23NO6 and a molecular weight of 325.36 g/mol. Its IUPAC name is methyl (2S)-3-hydroxy-2-[[(3R)-3-methoxy-4-phenylmethoxybutanoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-3-hydroxy-2-[[(3R)-3-methoxy-4-phenylmethoxybutanoyl]amino]propanoate
PubChem CID11301792
Molecular FormulaC16H23NO6
Molecular Weight325.36 g/mol
Exact Mass325.15
IUPAC Namemethyl (2S)-3-hydroxy-2-[[(3R)-3-methoxy-4-phenylmethoxybutanoyl]amino]propanoate
SMILESCOC(=O)[C@H](CO)NC(=O)C[C@H](COCc1ccccc1)OC
InChIInChI=1S/C16H23NO6/c1-21-13(11-23-10-12-6-4-3-5-7-12)8-15(19)17-14(9-18)16(20)22-2/h3-7,13-14,18H,8-11H2,1-2H3,(H,17,19)/t13-,14+/m1/s1
InChIKeyPKTSONHXGKXPTF-KGLIPLIRSA-N
XLogP0.26
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl (2S)-3-hydroxy-2-[[(3R)-3-methoxy-4-phenylmethoxybutanoyl]amino]propanoate 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)-3-hydroxy-2-[[(3R)-3-methoxy-4-phenylmethoxybutanoyl]amino]propanoate?
The IUPAC name of methyl (2S)-3-hydroxy-2-[[(3R)-3-methoxy-4-phenylmethoxybutanoyl]amino]propanoate (CID 11301792) is methyl (2S)-3-hydroxy-2-[[(3R)-3-methoxy-4-phenylmethoxybutanoyl]amino]propanoate.
What is the SMILES notation for methyl (2S)-3-hydroxy-2-[[(3R)-3-methoxy-4-phenylmethoxybutanoyl]amino]propanoate?
The canonical SMILES for methyl (2S)-3-hydroxy-2-[[(3R)-3-methoxy-4-phenylmethoxybutanoyl]amino]propanoate is COC(=O)[C@H](CO)NC(=O)C[C@H](COCc1ccccc1)OC.
What is the InChIKey of methyl (2S)-3-hydroxy-2-[[(3R)-3-methoxy-4-phenylmethoxybutanoyl]amino]propanoate?
The InChIKey is PKTSONHXGKXPTF-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H23NO6/c1-21-13(11-23-10-12-6-4-3-5-7-12)8-15(19)17-14(9-18)16(20)22-2/h3-7,13-14,18H,8-11H2,1-2H3,(H,17,19)/t13-,14+/m1/s1.
What are the key properties of methyl (2S)-3-hydroxy-2-[[(3R)-3-methoxy-4-phenylmethoxybutanoyl]amino]propanoate?
methyl (2S)-3-hydroxy-2-[[(3R)-3-methoxy-4-phenylmethoxybutanoyl]amino]propanoate has a molecular weight of 325.36 g/mol, XLogP of 0.26, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-hydroxy-2-[[(3R)-3-methoxy-4-phenylmethoxybutanoyl]amino]propanoate is sourced from PubChem (CID 11301792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).