(2R)-2-amino-2-(5-amino-2-nitrophenyl)ethanol

C8H11N3O3 — CID 130648335

IUPAC(2R)-2-amino-2-(5-amino-2-nitrophenyl)ethanol
SMILESNc1ccc([N+](=O)[O-])c([C@@H](N)CO)c1
InChIInChI=1S/C8H11N3O3/c9-5-1-2-8(11(13)14)6(3-5)7(10)4-12/h1-3,7,12H,4,9-10H2/t7-/m0/s1
InChIKeyKAOAXZGDBUBKOT-ZETCQYMHSA-N
MW197.19 g/mol
LogP0.17
Rot. Bonds3

About (2R)-2-amino-2-(5-amino-2-nitrophenyl)ethanol

(2R)-2-amino-2-(5-amino-2-nitrophenyl)ethanol (PubChem CID 130648335) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is (2R)-2-amino-2-(5-amino-2-nitrophenyl)ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-(5-amino-2-nitrophenyl)ethanol
PubChem CID130648335
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name(2R)-2-amino-2-(5-amino-2-nitrophenyl)ethanol
SMILESNc1ccc([N+](=O)[O-])c([C@@H](N)CO)c1
InChIInChI=1S/C8H11N3O3/c9-5-1-2-8(11(13)14)6(3-5)7(10)4-12/h1-3,7,12H,4,9-10H2/t7-/m0/s1
InChIKeyKAOAXZGDBUBKOT-ZETCQYMHSA-N
XLogP0.17
TPSA115.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-2-(5-methyl-2-nitrophenyl)ethanol
CID 130607743
2-amino-2-(5-fluoro-2-nitrophenyl)ethanol
CID 77129849
(2S)-2-amino-2-(4-bromo-2-nitrophenyl)ethanol
CID 66515400
N-[4-(5-amino-2-nitrophenyl)-3,4-dihydroxybutyl]acetamide
CID 171883433
3-[(1S)-1,2-diaminoethyl]-4-nitrophenol
CID 55264320
6-[(1R)-1-amino-2-hydroxyethyl]-2,3-dibromo-4-nitrophenol
CID 66516242
(4S)-4-amino-4-(5-fluoro-2-nitrophenyl)butan-1-ol
CID 171225623
(4S)-4-amino-4-(5-chloro-2-nitrophenyl)butan-1-ol
CID 171225999
6-[(1R)-1-amino-2-hydroxyethyl]-2,3-dimethyl-4-nitrophenol
CID 66515001
2-[(1S)-1-amino-2-hydroxyethyl]-4-(hydroxymethyl)-6-nitrophenol
CID 66514961
3-[(1R)-1-aminobutyl]-4-nitrophenol
CID 171206438
(2R)-2-amino-2-(2-fluoro-4-nitrophenyl)ethanol
CID 66514219

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(5-amino-2-nitrophenyl)ethanol?
The IUPAC name of (2R)-2-amino-2-(5-amino-2-nitrophenyl)ethanol (CID 130648335) is (2R)-2-amino-2-(5-amino-2-nitrophenyl)ethanol.
What is the SMILES notation for (2R)-2-amino-2-(5-amino-2-nitrophenyl)ethanol?
The canonical SMILES for (2R)-2-amino-2-(5-amino-2-nitrophenyl)ethanol is Nc1ccc([N+](=O)[O-])c([C@@H](N)CO)c1.
What is the InChIKey of (2R)-2-amino-2-(5-amino-2-nitrophenyl)ethanol?
The InChIKey is KAOAXZGDBUBKOT-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H11N3O3/c9-5-1-2-8(11(13)14)6(3-5)7(10)4-12/h1-3,7,12H,4,9-10H2/t7-/m0/s1.
What are the key properties of (2R)-2-amino-2-(5-amino-2-nitrophenyl)ethanol?
(2R)-2-amino-2-(5-amino-2-nitrophenyl)ethanol has a molecular weight of 197.19 g/mol, XLogP of 0.17, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(5-amino-2-nitrophenyl)ethanol is sourced from PubChem (CID 130648335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).