3-amino-2-(2-hydroxy-5-nitrophenyl)propanoic acid

C9H10N2O5 — CID 117324797

IUPAC3-amino-2-(2-hydroxy-5-nitrophenyl)propanoic acid
SMILESNCC(C(=O)O)c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C9H10N2O5/c10-4-7(9(13)14)6-3-5(11(15)16)1-2-8(6)12/h1-3,7,12H,4,10H2,(H,13,14)
InChIKeyYNQZJKSFAIZDHA-UHFFFAOYSA-N
MW226.19 g/mol
LogP0.43
Rot. Bonds4

About 3-amino-2-(2-hydroxy-5-nitrophenyl)propanoic acid

3-amino-2-(2-hydroxy-5-nitrophenyl)propanoic acid (PubChem CID 117324797) has the molecular formula C9H10N2O5 and a molecular weight of 226.19 g/mol. Its IUPAC name is 3-amino-2-(2-hydroxy-5-nitrophenyl)propanoic acid.

Molecular Properties

Compound Name3-amino-2-(2-hydroxy-5-nitrophenyl)propanoic acid
PubChem CID117324797
Molecular FormulaC9H10N2O5
Molecular Weight226.19 g/mol
Exact Mass226.06
IUPAC Name3-amino-2-(2-hydroxy-5-nitrophenyl)propanoic acid
SMILESNCC(C(=O)O)c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C9H10N2O5/c10-4-7(9(13)14)6-3-5(11(15)16)1-2-8(6)12/h1-3,7,12H,4,10H2,(H,13,14)
InChIKeyYNQZJKSFAIZDHA-UHFFFAOYSA-N
XLogP0.43
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 ≤ 50.43
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

4-amino-1-(2-hydroxy-5-nitrophenyl)butane-1,2-diol
CID 171881755
2-[(1S)-1-aminoethyl]-4-nitrophenol;hydrochloride
CID 171217252
2-[(1S)-1-amino-3,3-difluoropropyl]-4-nitrophenol
CID 171312782
2-[(1S)-1,5-diaminopentyl]-4-nitrophenol;hydrochloride
CID 171217251
2-[(1R)-1-amino-4-hydroxybutyl]-4-nitrophenol
CID 165349921
2-[(1S)-1-aminoprop-2-enyl]-4-nitrophenol
CID 130614433
2-[(1R,2S)-1-amino-2-hydroxypropyl]-4-nitrophenol
CID 131546874
2-[(1S)-1-amino-3,3,3-trifluoropropyl]-4-nitrophenol
CID 171217267
2-[(1S)-1-aminobutyl]-4-nitrophenol;hydrochloride
CID 171217256
2-[(1S)-1-amino-4-hydroxybutyl]-4-nitrophenol;hydrochloride
CID 171217299
2-(aminomethyl)-4-nitrophenol
CID 2115073
2-[(1S)-1-amino-2,2,2-trifluoroethyl]-4-nitrophenol;hydrochloride
CID 171245431

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-hydroxy-5-nitrophenyl)propanoic acid?
The IUPAC name of 3-amino-2-(2-hydroxy-5-nitrophenyl)propanoic acid (CID 117324797) is 3-amino-2-(2-hydroxy-5-nitrophenyl)propanoic acid.
What is the SMILES notation for 3-amino-2-(2-hydroxy-5-nitrophenyl)propanoic acid?
The canonical SMILES for 3-amino-2-(2-hydroxy-5-nitrophenyl)propanoic acid is NCC(C(=O)O)c1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of 3-amino-2-(2-hydroxy-5-nitrophenyl)propanoic acid?
The InChIKey is YNQZJKSFAIZDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O5/c10-4-7(9(13)14)6-3-5(11(15)16)1-2-8(6)12/h1-3,7,12H,4,10H2,(H,13,14).
What are the key properties of 3-amino-2-(2-hydroxy-5-nitrophenyl)propanoic acid?
3-amino-2-(2-hydroxy-5-nitrophenyl)propanoic acid has a molecular weight of 226.19 g/mol, XLogP of 0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-hydroxy-5-nitrophenyl)propanoic acid is sourced from PubChem (CID 117324797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).