(3R)-4-nitro-3-phenylbutanoic acid

C10H11NO4 — CID 26339937

IUPAC(3R)-4-nitro-3-phenylbutanoic acid
SMILESO=C(O)C[C@@H](C[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C10H11NO4/c12-10(13)6-9(7-11(14)15)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)/t9-/m0/s1
InChIKeyYCOCGPQYZANFEB-VIFPVBQESA-N
MW209.20 g/mol
LogP1.52
Rot. Bonds5

About (3R)-4-nitro-3-phenylbutanoic acid

(3R)-4-nitro-3-phenylbutanoic acid (PubChem CID 26339937) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is (3R)-4-nitro-3-phenylbutanoic acid.

Molecular Properties

Compound Name(3R)-4-nitro-3-phenylbutanoic acid
PubChem CID26339937
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name(3R)-4-nitro-3-phenylbutanoic acid
SMILESO=C(O)C[C@@H](C[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C10H11NO4/c12-10(13)6-9(7-11(14)15)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)/t9-/m0/s1
InChIKeyYCOCGPQYZANFEB-VIFPVBQESA-N
XLogP1.52
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.52
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

(5R)-6-nitro-5-phenylhexan-3-one
CID 16720921
(5R)-6-nitro-1,5-diphenylhexan-3-one
CID 132837349
(5R)-6-nitro-1,5-diphenylhexane-1,3-dione
CID 132837335
(3R)-3-(2-chlorophenyl)-4-nitrobutanoic acid
CID 94688236
1-(2-methylphenyl)-4-nitro-3-phenylbutan-1-one
CID 72747344
(3S)-1-(2-bromophenyl)-4-nitro-3-phenylbutan-1-one
CID 146163753
4-nitro-3-[2-(trifluoromethyl)phenyl]butanoic acid
CID 68539752
(3R)-3-(4-fluorophenyl)-4-nitro-1-phenylbutan-1-one
CID 102399044
4-nitro-3-phenylbutanal
CID 75046041
(3R)-4-nitro-3-phenyl-1-pyrazin-2-ylbutan-1-one
CID 102582286
(2-nitro-1-phenylethyl)benzene
CID 11521460
trimethyl-(3-nitro-2-phenylpropyl)silane
CID 15526873

Frequently Asked Questions

What is the IUPAC name of (3R)-4-nitro-3-phenylbutanoic acid?
The IUPAC name of (3R)-4-nitro-3-phenylbutanoic acid (CID 26339937) is (3R)-4-nitro-3-phenylbutanoic acid.
What is the SMILES notation for (3R)-4-nitro-3-phenylbutanoic acid?
The canonical SMILES for (3R)-4-nitro-3-phenylbutanoic acid is O=C(O)C[C@@H](C[N+](=O)[O-])c1ccccc1.
What is the InChIKey of (3R)-4-nitro-3-phenylbutanoic acid?
The InChIKey is YCOCGPQYZANFEB-VIFPVBQESA-N. The full InChI is InChI=1S/C10H11NO4/c12-10(13)6-9(7-11(14)15)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)/t9-/m0/s1.
What are the key properties of (3R)-4-nitro-3-phenylbutanoic acid?
(3R)-4-nitro-3-phenylbutanoic acid has a molecular weight of 209.20 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-nitro-3-phenylbutanoic acid is sourced from PubChem (CID 26339937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).