(2S)-2-anilino-5-hydroxy-4-oxopentanoic acid

C11H13NO4 — CID 71062761

IUPAC(2S)-2-anilino-5-hydroxy-4-oxopentanoic acid
SMILESO=C(CO)C[C@H](Nc1ccccc1)C(=O)O
InChIInChI=1S/C11H13NO4/c13-7-9(14)6-10(11(15)16)12-8-4-2-1-3-5-8/h1-5,10,12-13H,6-7H2,(H,15,16)/t10-/m0/s1
InChIKeyVWOLZYBEXZLXSE-JTQLQIEISA-N
MW223.23 g/mol
LogP0.50
Rot. Bonds6

About (2S)-2-anilino-5-hydroxy-4-oxopentanoic acid

(2S)-2-anilino-5-hydroxy-4-oxopentanoic acid (PubChem CID 71062761) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is (2S)-2-anilino-5-hydroxy-4-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-2-anilino-5-hydroxy-4-oxopentanoic acid
PubChem CID71062761
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name(2S)-2-anilino-5-hydroxy-4-oxopentanoic acid
SMILESO=C(CO)C[C@H](Nc1ccccc1)C(=O)O
InChIInChI=1S/C11H13NO4/c13-7-9(14)6-10(11(15)16)12-8-4-2-1-3-5-8/h1-5,10,12-13H,6-7H2,(H,15,16)/t10-/m0/s1
InChIKeyVWOLZYBEXZLXSE-JTQLQIEISA-N
XLogP0.50
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-anilino-3-hydroxypropanoic acid
CID 68662369
2-anilino-3-sulfanylpropanoic acid
CID 87519071
(2R)-2-anilino-4-ethoxy-4-oxobutanoic acid
CID 70072361
(2R)-2-anilino-3-sulfanylpropanoic acid;hydrobromide
CID 71352258
(2S)-5-amino-2-anilino-5-oxopentanoic acid
CID 54197392
2-anilino-4-oxobutanoic acid
CID 154361840
(2S)-2-anilinopentanoic acid
CID 22847649
2-anilino-3-sulfanylpropanoic acid;sulfuric acid;hydrochloride
CID 175420223
2-anilino-4,4-dinitrobutanoic acid
CID 143450894
(2S)-2-anilino-4-oxo-4-phenylbutanoate
CID 7085378
2-anilino-3-phenylmethoxypropanoic acid
CID 154530203
(2S)-2-anilino-3-[(2-methylpropan-2-yl)oxy]propanoic acid
CID 69079493

Frequently Asked Questions

What is the IUPAC name of (2S)-2-anilino-5-hydroxy-4-oxopentanoic acid?
The IUPAC name of (2S)-2-anilino-5-hydroxy-4-oxopentanoic acid (CID 71062761) is (2S)-2-anilino-5-hydroxy-4-oxopentanoic acid.
What is the SMILES notation for (2S)-2-anilino-5-hydroxy-4-oxopentanoic acid?
The canonical SMILES for (2S)-2-anilino-5-hydroxy-4-oxopentanoic acid is O=C(CO)C[C@H](Nc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-anilino-5-hydroxy-4-oxopentanoic acid?
The InChIKey is VWOLZYBEXZLXSE-JTQLQIEISA-N. The full InChI is InChI=1S/C11H13NO4/c13-7-9(14)6-10(11(15)16)12-8-4-2-1-3-5-8/h1-5,10,12-13H,6-7H2,(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-2-anilino-5-hydroxy-4-oxopentanoic acid?
(2S)-2-anilino-5-hydroxy-4-oxopentanoic acid has a molecular weight of 223.23 g/mol, XLogP of 0.50, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-anilino-5-hydroxy-4-oxopentanoic acid is sourced from PubChem (CID 71062761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).