(2R)-2-hydroxy-2-(N-hydroxyanilino)propanoic acid

C9H11NO4 — CID 54323514

IUPAC(2R)-2-hydroxy-2-(N-hydroxyanilino)propanoic acid
SMILESC[C@@](O)(C(=O)O)N(O)c1ccccc1
InChIInChI=1S/C9H11NO4/c1-9(13,8(11)12)10(14)7-5-3-2-4-6-7/h2-6,13-14H,1H3,(H,11,12)/t9-/m1/s1
InChIKeySTHNIIAZDPMUHA-SECBINFHSA-N
MW197.19 g/mol
LogP0.68
Rot. Bonds3

About (2R)-2-hydroxy-2-(N-hydroxyanilino)propanoic acid

(2R)-2-hydroxy-2-(N-hydroxyanilino)propanoic acid (PubChem CID 54323514) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-(N-hydroxyanilino)propanoic acid.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-(N-hydroxyanilino)propanoic acid
PubChem CID54323514
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name(2R)-2-hydroxy-2-(N-hydroxyanilino)propanoic acid
SMILESC[C@@](O)(C(=O)O)N(O)c1ccccc1
InChIInChI=1S/C9H11NO4/c1-9(13,8(11)12)10(14)7-5-3-2-4-6-7/h2-6,13-14H,1H3,(H,11,12)/t9-/m1/s1
InChIKeySTHNIIAZDPMUHA-SECBINFHSA-N
XLogP0.68
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2,3-dihydroxy-2-(N-hydroxyanilino)propanoic acid
CID 54393862
2-benzoyl-2,3-dihydroxy-3-methylbutanedioic acid
CID 141115442
ethane;2-hydroxy-2,2-diphenylacetic acid
CID 143307418
(2R)-2-hydroxy-2-phenylpropanoic acid
CID 736858
1-tert-butyl-1-phenylurea
CID 19102233
N,N-diphenylaniline;2,2,2-trifluoroacetic acid
CID 162535406
2-[hydroxy(phenyl)carbamoyl]-2-methylpentanedioic acid
CID 87518319
(2R)-2-hydroxy-2-methyl-3-oxo-3-phenylpropanoic acid
CID 97115094
benzoic acid;N-methyl-N-phenylaniline
CID 158055475
1,1-bis(N-phenylanilino)propan-2-one
CID 141093268
3-hydroxy-2,2-dimethyl-3-phenylbutanoic acid
CID 12570468
2-hydroxy-2-methylpropanoic acid;2-hydroxy-2-phenylpropanoic acid
CID 70572731

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2-(N-hydroxyanilino)propanoic acid?
The IUPAC name of (2R)-2-hydroxy-2-(N-hydroxyanilino)propanoic acid (CID 54323514) is (2R)-2-hydroxy-2-(N-hydroxyanilino)propanoic acid.
What is the SMILES notation for (2R)-2-hydroxy-2-(N-hydroxyanilino)propanoic acid?
The canonical SMILES for (2R)-2-hydroxy-2-(N-hydroxyanilino)propanoic acid is C[C@@](O)(C(=O)O)N(O)c1ccccc1.
What is the InChIKey of (2R)-2-hydroxy-2-(N-hydroxyanilino)propanoic acid?
The InChIKey is STHNIIAZDPMUHA-SECBINFHSA-N. The full InChI is InChI=1S/C9H11NO4/c1-9(13,8(11)12)10(14)7-5-3-2-4-6-7/h2-6,13-14H,1H3,(H,11,12)/t9-/m1/s1.
What are the key properties of (2R)-2-hydroxy-2-(N-hydroxyanilino)propanoic acid?
(2R)-2-hydroxy-2-(N-hydroxyanilino)propanoic acid has a molecular weight of 197.19 g/mol, XLogP of 0.68, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-(N-hydroxyanilino)propanoic acid is sourced from PubChem (CID 54323514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).