2-amino-3-hydroxy-2-(4-nitrophenyl)propanoic acid

C9H10N2O5 — CID 20980482

IUPAC2-amino-3-hydroxy-2-(4-nitrophenyl)propanoic acid
SMILESNC(CO)(C(=O)O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H10N2O5/c10-9(5-12,8(13)14)6-1-3-7(4-2-6)11(15)16/h1-4,12H,5,10H2,(H,13,14)
InChIKeyQOBQFBHYJPULSK-UHFFFAOYSA-N
MW226.19 g/mol
LogP-0.17
Rot. Bonds4

About 2-amino-3-hydroxy-2-(4-nitrophenyl)propanoic acid

2-amino-3-hydroxy-2-(4-nitrophenyl)propanoic acid (PubChem CID 20980482) has the molecular formula C9H10N2O5 and a molecular weight of 226.19 g/mol. Its IUPAC name is 2-amino-3-hydroxy-2-(4-nitrophenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-hydroxy-2-(4-nitrophenyl)propanoic acid
PubChem CID20980482
Molecular FormulaC9H10N2O5
Molecular Weight226.19 g/mol
Exact Mass226.06
IUPAC Name2-amino-3-hydroxy-2-(4-nitrophenyl)propanoic acid
SMILESNC(CO)(C(=O)O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H10N2O5/c10-9(5-12,8(13)14)6-1-3-7(4-2-6)11(15)16/h1-4,12H,5,10H2,(H,13,14)
InChIKeyQOBQFBHYJPULSK-UHFFFAOYSA-N
XLogP-0.17
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 ≤ 5-0.17
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

2-amino-2-(4-nitrophenyl)propan-1-ol
CID 55268506
4-nitrobenzoic acid;2,2,2-trifluoroethanol
CID 71404405
CID 157128184
CID 157128184
2-methyl-2-[4-(4-nitrophenyl)phenyl]propanoic acid
CID 82039226
3-methyl-3-(4-nitrophenyl)pentanedioic acid
CID 13495587
4-bromo-4-(4-nitrophenyl)pentan-2-one
CID 11000620
2-hydroxy-2-(4-nitrophenyl)-2-phenylacetamide
CID 18510702
sodium;2-chloroacetate;1,4-dinitrobenzene
CID 88733321
[(2S)-3-hydroxy-2-methyl-2-(4-nitrophenyl)propyl] 2-methylpropanoate
CID 177451676
cesium;hydride;4-nitrobenzoic acid
CID 174438488
carbonic acid;ethane-1,2-diol;nitrobenzene
CID 175059732
(2S,3S)-2-amino-3-[(4-nitrophenyl)methyl]butanedioic acid
CID 11659028

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxy-2-(4-nitrophenyl)propanoic acid?
The IUPAC name of 2-amino-3-hydroxy-2-(4-nitrophenyl)propanoic acid (CID 20980482) is 2-amino-3-hydroxy-2-(4-nitrophenyl)propanoic acid.
What is the SMILES notation for 2-amino-3-hydroxy-2-(4-nitrophenyl)propanoic acid?
The canonical SMILES for 2-amino-3-hydroxy-2-(4-nitrophenyl)propanoic acid is NC(CO)(C(=O)O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-amino-3-hydroxy-2-(4-nitrophenyl)propanoic acid?
The InChIKey is QOBQFBHYJPULSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O5/c10-9(5-12,8(13)14)6-1-3-7(4-2-6)11(15)16/h1-4,12H,5,10H2,(H,13,14).
What are the key properties of 2-amino-3-hydroxy-2-(4-nitrophenyl)propanoic acid?
2-amino-3-hydroxy-2-(4-nitrophenyl)propanoic acid has a molecular weight of 226.19 g/mol, XLogP of -0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxy-2-(4-nitrophenyl)propanoic acid is sourced from PubChem (CID 20980482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).