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

C9H10N2O5 — CID 134160007

IUPAC(2R)-2-amino-3-(4-hydroxy-2-nitrophenyl)propanoic acid
SMILESN[C@H](Cc1ccc(O)cc1[N+](=O)[O-])C(=O)O
InChIInChI=1S/C9H10N2O5/c10-7(9(13)14)3-5-1-2-6(12)4-8(5)11(15)16/h1-2,4,7,12H,3,10H2,(H,13,14)/t7-/m1/s1
InChIKeyRCZUDMZUWULMID-SSDOTTSWSA-N
MW226.19 g/mol
LogP0.25
Rot. Bonds4

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

(2R)-2-amino-3-(4-hydroxy-2-nitrophenyl)propanoic acid (PubChem CID 134160007) has the molecular formula C9H10N2O5 and a molecular weight of 226.19 g/mol. Its IUPAC name is (2R)-2-amino-3-(4-hydroxy-2-nitrophenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(4-hydroxy-2-nitrophenyl)propanoic acid
PubChem CID134160007
Molecular FormulaC9H10N2O5
Molecular Weight226.19 g/mol
Exact Mass226.06
IUPAC Name(2R)-2-amino-3-(4-hydroxy-2-nitrophenyl)propanoic acid
SMILESN[C@H](Cc1ccc(O)cc1[N+](=O)[O-])C(=O)O
InChIInChI=1S/C9H10N2O5/c10-7(9(13)14)3-5-1-2-6(12)4-8(5)11(15)16/h1-2,4,7,12H,3,10H2,(H,13,14)/t7-/m1/s1
InChIKeyRCZUDMZUWULMID-SSDOTTSWSA-N
XLogP0.25
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 ≤ 50.25
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'}

Analyze (2R)-2-amino-3-(4-hydroxy-2-nitrophenyl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-3-(4-hydroxy-2,6-dinitrophenyl)propanoic acid
CID 175337913
(2S)-2-amino-3-(2-iodo-4-nitrophenyl)propanoic acid
CID 54574280
2-amino-3-(2,4-dinitrophenyl)propanamide
CID 66222854
2-amino-3-(2-amino-4-hydroxyphenyl)propanoic acid
CID 5134354
(2R)-2-amino-3-(2-fluoro-3-nitrophenyl)propanoic acid
CID 103852447
2-amino-3-(5-cyano-2-nitrophenyl)propanoic acid
CID 141330960
(2S)-2-amino-3-(6-hydroxy-4-nitro-1H-indol-3-yl)propanoic acid
CID 122473679
(2S)-2-(benzylamino)-3-(4-hydroxy-2-nitrophenyl)propanoic acid
CID 68859133
(2S)-2-amino-3-[4-hydroxy-2-(4-hydroxyphenyl)phenyl]propanoic acid
CID 152754952
2-amino-3-(2-fluoro-5-hydroxyphenyl)propanoic acid
CID 14211589
(2S)-2-amino-3-(4-hydroxy-2-phosphonophenyl)propanoic acid
CID 57008274
2-amino-3-(4-hydroxy-3-nitrophenyl)propanoic acid;phenol
CID 175513731

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(4-hydroxy-2-nitrophenyl)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(4-hydroxy-2-nitrophenyl)propanoic acid (CID 134160007) is (2R)-2-amino-3-(4-hydroxy-2-nitrophenyl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(4-hydroxy-2-nitrophenyl)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(4-hydroxy-2-nitrophenyl)propanoic acid is N[C@H](Cc1ccc(O)cc1[N+](=O)[O-])C(=O)O.
What is the InChIKey of (2R)-2-amino-3-(4-hydroxy-2-nitrophenyl)propanoic acid?
The InChIKey is RCZUDMZUWULMID-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H10N2O5/c10-7(9(13)14)3-5-1-2-6(12)4-8(5)11(15)16/h1-2,4,7,12H,3,10H2,(H,13,14)/t7-/m1/s1.
What are the key properties of (2R)-2-amino-3-(4-hydroxy-2-nitrophenyl)propanoic acid?
(2R)-2-amino-3-(4-hydroxy-2-nitrophenyl)propanoic acid has a molecular weight of 226.19 g/mol, XLogP of 0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(4-hydroxy-2-nitrophenyl)propanoic acid is sourced from PubChem (CID 134160007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).