(2R)-2-benzyl-3-nitropropanamide

C10H12N2O3 — CID 44543638

IUPAC(2R)-2-benzyl-3-nitropropanamide
SMILESNC(=O)[C@H](Cc1ccccc1)C[N+](=O)[O-]
InChIInChI=1S/C10H12N2O3/c11-10(13)9(7-12(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,11,13)/t9-/m1/s1
InChIKeyJJVMCABGSUOHSC-SECBINFHSA-N
MW208.22 g/mol
LogP0.61
Rot. Bonds5

About (2R)-2-benzyl-3-nitropropanamide

(2R)-2-benzyl-3-nitropropanamide (PubChem CID 44543638) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is (2R)-2-benzyl-3-nitropropanamide.

Molecular Properties

Compound Name(2R)-2-benzyl-3-nitropropanamide
PubChem CID44543638
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name(2R)-2-benzyl-3-nitropropanamide
SMILESNC(=O)[C@H](Cc1ccccc1)C[N+](=O)[O-]
InChIInChI=1S/C10H12N2O3/c11-10(13)9(7-12(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,11,13)/t9-/m1/s1
InChIKeyJJVMCABGSUOHSC-SECBINFHSA-N
XLogP0.61
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-hydroxy-4-phenylbutanamide
CID 279980
8-Phenyl-octanoic acid hydroxyamide
CID 14098189
N-hydroxy-2-methyl-4-phenylbutanamide
CID 3787
N-hydroxy-3-phenylpropanamide
CID 4118131
9-Phenylnonanohydroxamic acid
CID 188382
2-Phenylmalonamide
CID 2747536
2-Benzylmalonamide
CID 4163944
N-hydroxy-5-phenylpentanamide
CID 279981
N-Methoxy-3-phenylpropanamide
CID 13836226
N-Hydroxy-7-phenylheptanamide
CID 14098188
3-Amino-N-hydroxy-4-phenyl-butyramide
CID 44276218
N-hydroxy-6-phenylhexanamide
CID 44375578

Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzyl-3-nitropropanamide?
The IUPAC name of (2R)-2-benzyl-3-nitropropanamide (CID 44543638) is (2R)-2-benzyl-3-nitropropanamide.
What is the SMILES notation for (2R)-2-benzyl-3-nitropropanamide?
The canonical SMILES for (2R)-2-benzyl-3-nitropropanamide is NC(=O)[C@H](Cc1ccccc1)C[N+](=O)[O-].
What is the InChIKey of (2R)-2-benzyl-3-nitropropanamide?
The InChIKey is JJVMCABGSUOHSC-SECBINFHSA-N. The full InChI is InChI=1S/C10H12N2O3/c11-10(13)9(7-12(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,11,13)/t9-/m1/s1.
What are the key properties of (2R)-2-benzyl-3-nitropropanamide?
(2R)-2-benzyl-3-nitropropanamide has a molecular weight of 208.22 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzyl-3-nitropropanamide is sourced from PubChem (CID 44543638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).