2,3-dihydroxy-3-(4-nitrophenyl)propanamide

C9H10N2O5 — CID 171868264

IUPAC2,3-dihydroxy-3-(4-nitrophenyl)propanamide
SMILESNC(=O)C(O)C(O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H10N2O5/c10-9(14)8(13)7(12)5-1-3-6(4-2-5)11(15)16/h1-4,7-8,12-13H,(H2,10,14)
InChIKeyKZVBYBVINFLKII-UHFFFAOYSA-N
MW226.19 g/mol
LogP-0.53
Rot. Bonds4

About 2,3-dihydroxy-3-(4-nitrophenyl)propanamide

2,3-dihydroxy-3-(4-nitrophenyl)propanamide (PubChem CID 171868264) has the molecular formula C9H10N2O5 and a molecular weight of 226.19 g/mol. Its IUPAC name is 2,3-dihydroxy-3-(4-nitrophenyl)propanamide.

Molecular Properties

Compound Name2,3-dihydroxy-3-(4-nitrophenyl)propanamide
PubChem CID171868264
Molecular FormulaC9H10N2O5
Molecular Weight226.19 g/mol
Exact Mass226.06
IUPAC Name2,3-dihydroxy-3-(4-nitrophenyl)propanamide
SMILESNC(=O)C(O)C(O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H10N2O5/c10-9(14)8(13)7(12)5-1-3-6(4-2-5)11(15)16/h1-4,7-8,12-13H,(H2,10,14)
InChIKeyKZVBYBVINFLKII-UHFFFAOYSA-N
XLogP-0.53
TPSA126.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl (2S,3R)-2,3-dihydroxy-3-(4-nitrophenyl)propanoate
CID 11149499
bis(4-nitrophenyl)methanol
CID 12768612
(3S,4S)-4-hydroxy-3-methyl-4-(4-nitrophenyl)butan-2-one
CID 101240707
2,3-dihydroxy-3-(4-methylphenyl)propanamide
CID 171867589
2-nitro-1-(4-nitrophenyl)propane-1,3-diol
CID 13468905
1-(4-nitrophenyl)-4-sulfanylbutane-1,2-diol
CID 171874192
2-amino-1-(4-nitrophenyl)propane-1,3-diol;nitric acid
CID 165362766
2,3-dihydroxy-3-(4-phenylphenyl)propanamide
CID 171868964
(2R,3S)-2-amino-3-(4-nitrophenyl)butanedioic acid
CID 95564429
(2S,3R)-3-hydroxy-2-methyl-3-(4-nitrophenyl)propanal
CID 11858496
(1S,2R)-1-hydroxy-2-methyl-1-(4-nitrophenyl)pentan-3-one
CID 102413236
2,2-bis(4-nitrophenyl)acetic acid
CID 12768595

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-3-(4-nitrophenyl)propanamide?
The IUPAC name of 2,3-dihydroxy-3-(4-nitrophenyl)propanamide (CID 171868264) is 2,3-dihydroxy-3-(4-nitrophenyl)propanamide.
What is the SMILES notation for 2,3-dihydroxy-3-(4-nitrophenyl)propanamide?
The canonical SMILES for 2,3-dihydroxy-3-(4-nitrophenyl)propanamide is NC(=O)C(O)C(O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2,3-dihydroxy-3-(4-nitrophenyl)propanamide?
The InChIKey is KZVBYBVINFLKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O5/c10-9(14)8(13)7(12)5-1-3-6(4-2-5)11(15)16/h1-4,7-8,12-13H,(H2,10,14).
What are the key properties of 2,3-dihydroxy-3-(4-nitrophenyl)propanamide?
2,3-dihydroxy-3-(4-nitrophenyl)propanamide has a molecular weight of 226.19 g/mol, XLogP of -0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-3-(4-nitrophenyl)propanamide is sourced from PubChem (CID 171868264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).