(2R)-2,3-dihydroxy-2-(N-hydroxyanilino)propanoic acid

C9H11NO5 — CID 54393862

IUPAC(2R)-2,3-dihydroxy-2-(N-hydroxyanilino)propanoic acid
SMILESO=C(O)[C@](O)(CO)N(O)c1ccccc1
InChIInChI=1S/C9H11NO5/c11-6-9(14,8(12)13)10(15)7-4-2-1-3-5-7/h1-5,11,14-15H,6H2,(H,12,13)/t9-/m1/s1
InChIKeyVIOHLUFJBKTVTD-SECBINFHSA-N
MW213.19 g/mol
LogP-0.35
Rot. Bonds4

About (2R)-2,3-dihydroxy-2-(N-hydroxyanilino)propanoic acid

(2R)-2,3-dihydroxy-2-(N-hydroxyanilino)propanoic acid (PubChem CID 54393862) has the molecular formula C9H11NO5 and a molecular weight of 213.19 g/mol. Its IUPAC name is (2R)-2,3-dihydroxy-2-(N-hydroxyanilino)propanoic acid.

Molecular Properties

Compound Name(2R)-2,3-dihydroxy-2-(N-hydroxyanilino)propanoic acid
PubChem CID54393862
Molecular FormulaC9H11NO5
Molecular Weight213.19 g/mol
Exact Mass213.06
IUPAC Name(2R)-2,3-dihydroxy-2-(N-hydroxyanilino)propanoic acid
SMILESO=C(O)[C@](O)(CO)N(O)c1ccccc1
InChIInChI=1S/C9H11NO5/c11-6-9(14,8(12)13)10(15)7-4-2-1-3-5-7/h1-5,11,14-15H,6H2,(H,12,13)/t9-/m1/s1
InChIKeyVIOHLUFJBKTVTD-SECBINFHSA-N
XLogP-0.35
TPSA101.23 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-0.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-hydroxy-2-(N-hydroxyanilino)propanoic acid
CID 54323514
(2R)-2-(diaminoamino)-2-hydroxy-3-phenylpropanoic acid
CID 66992934
(2S)-2-benzyl-2,3-dihydroxypropanamide
CID 67629888
hydroxymethyl(phenyl)carbamic acid
CID 69165687
N,N-diphenylaniline;2,2,2-trifluoroacetic acid
CID 162535406
2-[hydroxy(phenyl)carbamoyl]-2-methylpentanedioic acid
CID 87518319
(2S,3S)-2,3-dihydroxy-2,3-bis(2-phenylacetyl)butanedioic acid
CID 141194460
N-hydroxy-N-phenylbenzamide;tungsten
CID 159148219
2-(N-hydroxyanilino)-2-methylpent-4-en-1-ol
CID 86253391
4-hydroxy-N,N-diphenylbut-2-ynamide
CID 57250810
chlorosulfinyl(phenyl)carbamic acid
CID 88751508
N-hydroxy-N-phenylprop-2-enamide
CID 11367183

Frequently Asked Questions

What is the IUPAC name of (2R)-2,3-dihydroxy-2-(N-hydroxyanilino)propanoic acid?
The IUPAC name of (2R)-2,3-dihydroxy-2-(N-hydroxyanilino)propanoic acid (CID 54393862) is (2R)-2,3-dihydroxy-2-(N-hydroxyanilino)propanoic acid.
What is the SMILES notation for (2R)-2,3-dihydroxy-2-(N-hydroxyanilino)propanoic acid?
The canonical SMILES for (2R)-2,3-dihydroxy-2-(N-hydroxyanilino)propanoic acid is O=C(O)[C@](O)(CO)N(O)c1ccccc1.
What is the InChIKey of (2R)-2,3-dihydroxy-2-(N-hydroxyanilino)propanoic acid?
The InChIKey is VIOHLUFJBKTVTD-SECBINFHSA-N. The full InChI is InChI=1S/C9H11NO5/c11-6-9(14,8(12)13)10(15)7-4-2-1-3-5-7/h1-5,11,14-15H,6H2,(H,12,13)/t9-/m1/s1.
What are the key properties of (2R)-2,3-dihydroxy-2-(N-hydroxyanilino)propanoic acid?
(2R)-2,3-dihydroxy-2-(N-hydroxyanilino)propanoic acid has a molecular weight of 213.19 g/mol, XLogP of -0.35, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,3-dihydroxy-2-(N-hydroxyanilino)propanoic acid is sourced from PubChem (CID 54393862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).