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

C14H19NO6 — CID 43353625

IUPAC3-hydroxy-2-[2-(4-methoxyphenoxy)propanoylamino]butanoic acid
SMILESCOc1ccc(OC(C)C(=O)NC(C(=O)O)C(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)
InChIKeyOVIXLXZVILHDEQ-UHFFFAOYSA-N
MW297.31 g/mol
LogP0.41
Rot. Bonds7

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

3-hydroxy-2-[2-(4-methoxyphenoxy)propanoylamino]butanoic acid (PubChem CID 43353625) has the molecular formula C14H19NO6 and a molecular weight of 297.31 g/mol. Its IUPAC name is 3-hydroxy-2-[2-(4-methoxyphenoxy)propanoylamino]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[2-(4-methoxyphenoxy)propanoylamino]butanoic acid
PubChem CID43353625
Molecular FormulaC14H19NO6
Molecular Weight297.31 g/mol
Exact Mass297.12
IUPAC Name3-hydroxy-2-[2-(4-methoxyphenoxy)propanoylamino]butanoic acid
SMILESCOc1ccc(OC(C)C(=O)NC(C(=O)O)C(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)
InChIKeyOVIXLXZVILHDEQ-UHFFFAOYSA-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

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Related Compounds

(2S,3R)-3-hydroxy-2-[2-(4-methoxyphenoxy)propanoylamino]butanoic acid
CID 104964890
(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 3-hydroxy-2-[2-(4-methoxyphenoxy)propanoylamino]butanoic acid?
The IUPAC name of 3-hydroxy-2-[2-(4-methoxyphenoxy)propanoylamino]butanoic acid (CID 43353625) is 3-hydroxy-2-[2-(4-methoxyphenoxy)propanoylamino]butanoic acid.
What is the SMILES notation for 3-hydroxy-2-[2-(4-methoxyphenoxy)propanoylamino]butanoic acid?
The canonical SMILES for 3-hydroxy-2-[2-(4-methoxyphenoxy)propanoylamino]butanoic acid is COc1ccc(OC(C)C(=O)NC(C(=O)O)C(C)O)cc1.
What is the InChIKey of 3-hydroxy-2-[2-(4-methoxyphenoxy)propanoylamino]butanoic acid?
The InChIKey is OVIXLXZVILHDEQ-UHFFFAOYSA-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).
What are the key properties of 3-hydroxy-2-[2-(4-methoxyphenoxy)propanoylamino]butanoic acid?
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 3-hydroxy-2-[2-(4-methoxyphenoxy)propanoylamino]butanoic acid is sourced from PubChem (CID 43353625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).