(2S)-2-hydroxy-4-phenylmethoxybutanoic acid

C11H14O4 — CID 15282429

IUPAC(2S)-2-hydroxy-4-phenylmethoxybutanoic acid
SMILESO=C(O)[C@@H](O)CCOCc1ccccc1
InChIInChI=1S/C11H14O4/c12-10(11(13)14)6-7-15-8-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2,(H,13,14)/t10-/m0/s1
InChIKeySCCDDTVSKVSXRF-JTQLQIEISA-N
MW210.23 g/mol
LogP1.04
Rot. Bonds6

About (2S)-2-hydroxy-4-phenylmethoxybutanoic acid

(2S)-2-hydroxy-4-phenylmethoxybutanoic acid (PubChem CID 15282429) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is (2S)-2-hydroxy-4-phenylmethoxybutanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-4-phenylmethoxybutanoic acid
PubChem CID15282429
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name(2S)-2-hydroxy-4-phenylmethoxybutanoic acid
SMILESO=C(O)[C@@H](O)CCOCc1ccccc1
InChIInChI=1S/C11H14O4/c12-10(11(13)14)6-7-15-8-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2,(H,13,14)/t10-/m0/s1
InChIKeySCCDDTVSKVSXRF-JTQLQIEISA-N
XLogP1.04
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-18-phenylmethoxyoctadecanoic acid
CID 101300553
(2R)-2-amino-4-phenylmethoxybutanoic acid
CID 51340689
4-hydroxy-6-phenylmethoxyhexanoic acid
CID 130913832
1-amino-3-phenylmethoxypropan-1-ol
CID 141197140
2-hydroxy-4-phenylmethoxybutanal
CID 130035859
(2S)-2-hydroxy-4-[(2-phenylmethoxyacetyl)amino]butanoic acid
CID 107834653
(2S)-1,4-bis(phenylmethoxy)butan-2-ol
CID 14814227
(3R)-5-phenylmethoxypentane-1,3-diol
CID 73332901
(2S)-2-acetamido-4-phenylmethoxybutanoic acid
CID 129322933
[(3R)-3-fluoro-3-iodopropoxy]methylbenzene
CID 125475539
(4R)-1-phenylmethoxyhexane-3,4-diol
CID 165032455
(2R)-2-methanimidoyl-4-phenylmethoxybutanoic acid
CID 174455696

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-4-phenylmethoxybutanoic acid?
The IUPAC name of (2S)-2-hydroxy-4-phenylmethoxybutanoic acid (CID 15282429) is (2S)-2-hydroxy-4-phenylmethoxybutanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-4-phenylmethoxybutanoic acid?
The canonical SMILES for (2S)-2-hydroxy-4-phenylmethoxybutanoic acid is O=C(O)[C@@H](O)CCOCc1ccccc1.
What is the InChIKey of (2S)-2-hydroxy-4-phenylmethoxybutanoic acid?
The InChIKey is SCCDDTVSKVSXRF-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14O4/c12-10(11(13)14)6-7-15-8-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2,(H,13,14)/t10-/m0/s1.
What are the key properties of (2S)-2-hydroxy-4-phenylmethoxybutanoic acid?
(2S)-2-hydroxy-4-phenylmethoxybutanoic acid has a molecular weight of 210.23 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-4-phenylmethoxybutanoic acid is sourced from PubChem (CID 15282429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).