4-amino-3-hydroxy-2-phenoxybutanoic acid

C10H13NO4 — CID 67612788

IUPAC4-amino-3-hydroxy-2-phenoxybutanoic acid
SMILESNCC(O)C(Oc1ccccc1)C(=O)O
InChIInChI=1S/C10H13NO4/c11-6-8(12)9(10(13)14)15-7-4-2-1-3-5-7/h1-5,8-9,12H,6,11H2,(H,13,14)
InChIKeyCDHZJLWTLBUKNT-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.16
Rot. Bonds5

About 4-amino-3-hydroxy-2-phenoxybutanoic acid

4-amino-3-hydroxy-2-phenoxybutanoic acid (PubChem CID 67612788) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 4-amino-3-hydroxy-2-phenoxybutanoic acid.

Molecular Properties

Compound Name4-amino-3-hydroxy-2-phenoxybutanoic acid
PubChem CID67612788
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name4-amino-3-hydroxy-2-phenoxybutanoic acid
SMILESNCC(O)C(Oc1ccccc1)C(=O)O
InChIInChI=1S/C10H13NO4/c11-6-8(12)9(10(13)14)15-7-4-2-1-3-5-7/h1-5,8-9,12H,6,11H2,(H,13,14)
InChIKeyCDHZJLWTLBUKNT-UHFFFAOYSA-N
XLogP-0.16
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxybutanoic acid;3-hydroxy-2-phenoxybutanoic acid
CID 157112950
(2R,3R)-3-hydroxy-3-(4-methoxyphenyl)-2-phenoxypropanoic acid
CID 15011210
3-methyl-2-phenoxypentanamide
CID 173059765
2-(4-phenoxyphenoxy)propanedioic acid
CID 18516803
2-(4-cyanophenoxy)-3-hydroxypentanoic acid
CID 18408234
4,5-dihydroxy-7-(2-hydroxypropoxy)-7-oxo-2,6-diphenoxyheptanoic acid
CID 70543005
1-phenoxyethanol
CID 66611531
3-hydroxy-2-phenylperoxyheptanoic acid
CID 151945087
2-[(3-methyl-2-phenoxybutanoyl)amino]propanoic acid
CID 82042687
chloroform;1-phenoxyethanol
CID 160851082
3-chloro-3-phenoxypropanoic acid
CID 91230963
butan-2-yl 3-methyl-2-phenoxybutanoate
CID 166438385

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-hydroxy-2-phenoxybutanoic acid?
The IUPAC name of 4-amino-3-hydroxy-2-phenoxybutanoic acid (CID 67612788) is 4-amino-3-hydroxy-2-phenoxybutanoic acid.
What is the SMILES notation for 4-amino-3-hydroxy-2-phenoxybutanoic acid?
The canonical SMILES for 4-amino-3-hydroxy-2-phenoxybutanoic acid is NCC(O)C(Oc1ccccc1)C(=O)O.
What is the InChIKey of 4-amino-3-hydroxy-2-phenoxybutanoic acid?
The InChIKey is CDHZJLWTLBUKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c11-6-8(12)9(10(13)14)15-7-4-2-1-3-5-7/h1-5,8-9,12H,6,11H2,(H,13,14).
What are the key properties of 4-amino-3-hydroxy-2-phenoxybutanoic acid?
4-amino-3-hydroxy-2-phenoxybutanoic acid has a molecular weight of 211.22 g/mol, XLogP of -0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-hydroxy-2-phenoxybutanoic acid is sourced from PubChem (CID 67612788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).