(2S,3R)-3-hydroxy-2-[2-(4-methoxyphenoxy)propanoylamino]butanoic acid

C14H19NO6 — CID 104964890

IUPAC(2S,3R)-3-hydroxy-2-[2-(4-methoxyphenoxy)propanoylamino]butanoic acid
SMILESCOc1ccc(OC(C)C(=O)N[C@H](C(=O)O)[C@@H](C)O)cc1
InChIInChI=1S/C14H19NO6/c1-8(16)12(14(18)19)15-13(17)9(2)21-11-6-4-10(20-3)5-7-11/h4-9,12,16H,1-3H3,(H,15,17)(H,18,19)/t8-,9?,12+/m1/s1
InChIKeyOVIXLXZVILHDEQ-JGJVNGFWSA-N
MW297.31 g/mol
LogP0.41
Rot. Bonds7

About (2S,3R)-3-hydroxy-2-[2-(4-methoxyphenoxy)propanoylamino]butanoic acid

(2S,3R)-3-hydroxy-2-[2-(4-methoxyphenoxy)propanoylamino]butanoic acid (PubChem CID 104964890) has the molecular formula C14H19NO6 and a molecular weight of 297.31 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-2-[2-(4-methoxyphenoxy)propanoylamino]butanoic acid.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-2-[2-(4-methoxyphenoxy)propanoylamino]butanoic acid
PubChem CID104964890
Molecular FormulaC14H19NO6
Molecular Weight297.31 g/mol
Exact Mass297.12
IUPAC Name(2S,3R)-3-hydroxy-2-[2-(4-methoxyphenoxy)propanoylamino]butanoic acid
SMILESCOc1ccc(OC(C)C(=O)N[C@H](C(=O)O)[C@@H](C)O)cc1
InChIInChI=1S/C14H19NO6/c1-8(16)12(14(18)19)15-13(17)9(2)21-11-6-4-10(20-3)5-7-11/h4-9,12,16H,1-3H3,(H,15,17)(H,18,19)/t8-,9?,12+/m1/s1
InChIKeyOVIXLXZVILHDEQ-JGJVNGFWSA-N
XLogP0.41
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S,3R)-3-hydroxy-2-[2-(4-methoxyphenoxy)propanoylamino]butanoic acid 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

3-hydroxy-2-[2-(4-methoxyphenoxy)propanoylamino]butanoic acid
CID 43353625
(2S,3R)-2-[2-(4-chlorophenoxy)propanoylamino]-3-hydroxybutanoic acid
CID 104964891
(2R)-2-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]-3-methylbutanoic acid
CID 92921464
3-hydroxy-2-[(4-methoxyphenyl)carbamoylamino]butanoic acid
CID 16772859
(2S)-2-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]-3-methylbutanoic acid
CID 92921466
2-cyclopropyl-2-[2-(4-methoxyphenoxy)propanoylamino]acetic acid
CID 62696487
(2R)-N-[(2S)-butan-2-yl]-2-(4-methoxyphenoxy)propanamide
CID 925169
N-[(2R)-1-hydroxybutan-2-yl]-2-(4-methoxyphenoxy)propanamide
CID 103920282
(2S,3R)-3-hydroxy-2-[1-(4-methoxyphenyl)ethylcarbamoylamino]butanoic acid
CID 104966379
(2S)-N-tert-butyl-2-(4-methoxyphenoxy)propanamide
CID 925163
N-methoxy-2-(4-methoxyphenoxy)propanamide
CID 46565224
(2S)-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-2-(4-methoxyphenoxy)propanehydrazide
CID 42091432

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-2-[2-(4-methoxyphenoxy)propanoylamino]butanoic acid?
The IUPAC name of (2S,3R)-3-hydroxy-2-[2-(4-methoxyphenoxy)propanoylamino]butanoic acid (CID 104964890) is (2S,3R)-3-hydroxy-2-[2-(4-methoxyphenoxy)propanoylamino]butanoic acid.
What is the SMILES notation for (2S,3R)-3-hydroxy-2-[2-(4-methoxyphenoxy)propanoylamino]butanoic acid?
The canonical SMILES for (2S,3R)-3-hydroxy-2-[2-(4-methoxyphenoxy)propanoylamino]butanoic acid is COc1ccc(OC(C)C(=O)N[C@H](C(=O)O)[C@@H](C)O)cc1.
What is the InChIKey of (2S,3R)-3-hydroxy-2-[2-(4-methoxyphenoxy)propanoylamino]butanoic acid?
The InChIKey is OVIXLXZVILHDEQ-JGJVNGFWSA-N. The full InChI is InChI=1S/C14H19NO6/c1-8(16)12(14(18)19)15-13(17)9(2)21-11-6-4-10(20-3)5-7-11/h4-9,12,16H,1-3H3,(H,15,17)(H,18,19)/t8-,9?,12+/m1/s1.
What are the key properties of (2S,3R)-3-hydroxy-2-[2-(4-methoxyphenoxy)propanoylamino]butanoic acid?
(2S,3R)-3-hydroxy-2-[2-(4-methoxyphenoxy)propanoylamino]butanoic acid has a molecular weight of 297.31 g/mol, XLogP of 0.41, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-hydroxy-2-[2-(4-methoxyphenoxy)propanoylamino]butanoic acid is sourced from PubChem (CID 104964890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).