N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]cyclopropanecarboxamide

C12H14N2O4 — CID 94052165

IUPACN-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]cyclopropanecarboxamide
SMILESO=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1
InChIInChI=1S/C12H14N2O4/c15-11(7-13-12(16)9-1-2-9)8-3-5-10(6-4-8)14(17)18/h3-6,9,11,15H,1-2,7H2,(H,13,16)/t11-/m0/s1
InChIKeyOXTXVBKVTZTWQW-NSHDSACASA-N
MW250.25 g/mol
LogP1.15
Rot. Bonds5

About N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]cyclopropanecarboxamide

N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]cyclopropanecarboxamide (PubChem CID 94052165) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]cyclopropanecarboxamide
PubChem CID94052165
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC NameN-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]cyclopropanecarboxamide
SMILESO=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1
InChIInChI=1S/C12H14N2O4/c15-11(7-13-12(16)9-1-2-9)8-3-5-10(6-4-8)14(17)18/h3-6,9,11,15H,1-2,7H2,(H,13,16)/t11-/m0/s1
InChIKeyOXTXVBKVTZTWQW-NSHDSACASA-N
XLogP1.15
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]cyclobutanecarboxamide
CID 51716100
3-[[2-hydroxy-2-(4-nitrophenyl)ethyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 4661755
N-[(4-nitrophenyl)methyl]cyclopropanecarboxamide
CID 61062523
(3R)-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 30784230
(3R)-N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 30784232
1-cyclopropyl-2-[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]ethanol
CID 115344990
trans-(1S,3R)-N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 100851403
N-[(2S)-2-hydroxy-2-phenylethyl]cyclopentanecarboxamide
CID 93032915
N-[2-hydroxy-2-(4-nitrophenyl)ethyl]pyridine-4-carboxamide
CID 43004373
1-(3-fluoro-4-methylphenyl)-N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 42939894
3,5-difluoro-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide
CID 41176072
2-[(3,5-dimethylcyclohexyl)amino]-1-(4-nitrophenyl)ethanol
CID 115338787

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]cyclopropanecarboxamide (CID 94052165) is N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]cyclopropanecarboxamide is O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1.
What is the InChIKey of N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]cyclopropanecarboxamide?
The InChIKey is OXTXVBKVTZTWQW-NSHDSACASA-N. The full InChI is InChI=1S/C12H14N2O4/c15-11(7-13-12(16)9-1-2-9)8-3-5-10(6-4-8)14(17)18/h3-6,9,11,15H,1-2,7H2,(H,13,16)/t11-/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]cyclopropanecarboxamide?
N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]cyclopropanecarboxamide has a molecular weight of 250.25 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 94052165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).