propan-2-yl (2R,3S)-3-acetamido-2-hydroxy-3-(4-methoxyphenyl)propanoate

C15H21NO5 — CID 11109198

IUPACpropan-2-yl (2R,3S)-3-acetamido-2-hydroxy-3-(4-methoxyphenyl)propanoate
SMILESCOc1ccc([C@H](NC(C)=O)[C@@H](O)C(=O)OC(C)C)cc1
InChIInChI=1S/C15H21NO5/c1-9(2)21-15(19)14(18)13(16-10(3)17)11-5-7-12(20-4)8-6-11/h5-9,13-14,18H,1-4H3,(H,16,17)/t13-,14+/m0/s1
InChIKeyYNIXZBKUKSGGHT-UONOGXRCSA-N
MW295.34 g/mol
LogP1.18
Rot. Bonds6

About propan-2-yl (2R,3S)-3-acetamido-2-hydroxy-3-(4-methoxyphenyl)propanoate

propan-2-yl (2R,3S)-3-acetamido-2-hydroxy-3-(4-methoxyphenyl)propanoate (PubChem CID 11109198) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is propan-2-yl (2R,3S)-3-acetamido-2-hydroxy-3-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Namepropan-2-yl (2R,3S)-3-acetamido-2-hydroxy-3-(4-methoxyphenyl)propanoate
PubChem CID11109198
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Namepropan-2-yl (2R,3S)-3-acetamido-2-hydroxy-3-(4-methoxyphenyl)propanoate
SMILESCOc1ccc([C@H](NC(C)=O)[C@@H](O)C(=O)OC(C)C)cc1
InChIInChI=1S/C15H21NO5/c1-9(2)21-15(19)14(18)13(16-10(3)17)11-5-7-12(20-4)8-6-11/h5-9,13-14,18H,1-4H3,(H,16,17)/t13-,14+/m0/s1
InChIKeyYNIXZBKUKSGGHT-UONOGXRCSA-N
XLogP1.18
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze propan-2-yl (2R,3S)-3-acetamido-2-hydroxy-3-(4-methoxyphenyl)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 propan-2-yl (2R,3S)-3-acetamido-2-hydroxy-3-(4-methoxyphenyl)propanoate?
The IUPAC name of propan-2-yl (2R,3S)-3-acetamido-2-hydroxy-3-(4-methoxyphenyl)propanoate (CID 11109198) is propan-2-yl (2R,3S)-3-acetamido-2-hydroxy-3-(4-methoxyphenyl)propanoate.
What is the SMILES notation for propan-2-yl (2R,3S)-3-acetamido-2-hydroxy-3-(4-methoxyphenyl)propanoate?
The canonical SMILES for propan-2-yl (2R,3S)-3-acetamido-2-hydroxy-3-(4-methoxyphenyl)propanoate is COc1ccc([C@H](NC(C)=O)[C@@H](O)C(=O)OC(C)C)cc1.
What is the InChIKey of propan-2-yl (2R,3S)-3-acetamido-2-hydroxy-3-(4-methoxyphenyl)propanoate?
The InChIKey is YNIXZBKUKSGGHT-UONOGXRCSA-N. The full InChI is InChI=1S/C15H21NO5/c1-9(2)21-15(19)14(18)13(16-10(3)17)11-5-7-12(20-4)8-6-11/h5-9,13-14,18H,1-4H3,(H,16,17)/t13-,14+/m0/s1.
What are the key properties of propan-2-yl (2R,3S)-3-acetamido-2-hydroxy-3-(4-methoxyphenyl)propanoate?
propan-2-yl (2R,3S)-3-acetamido-2-hydroxy-3-(4-methoxyphenyl)propanoate has a molecular weight of 295.34 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2R,3S)-3-acetamido-2-hydroxy-3-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 11109198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).