(2R)-2-nitropropanoic acid

C3H5NO4 — CID 92979979

IUPAC(2R)-2-nitropropanoic acid
SMILESC[C@H](C(=O)O)[N+](=O)[O-]
InChIInChI=1S/C3H5NO4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)/t2-/m1/s1
InChIKeyPTYVBEKOPJHZLJ-UWTATZPHSA-N
MW119.08 g/mol
LogP-0.26
Rot. Bonds2

About (2R)-2-nitropropanoic acid

(2R)-2-nitropropanoic acid (PubChem CID 92979979) has the molecular formula C3H5NO4 and a molecular weight of 119.08 g/mol. Its IUPAC name is (2R)-2-nitropropanoic acid.

Molecular Properties

Compound Name(2R)-2-nitropropanoic acid
PubChem CID92979979
Molecular FormulaC3H5NO4
Molecular Weight119.08 g/mol
Exact Mass119.02
IUPAC Name(2R)-2-nitropropanoic acid
SMILESC[C@H](C(=O)O)[N+](=O)[O-]
InChIInChI=1S/C3H5NO4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)/t2-/m1/s1
InChIKeyPTYVBEKOPJHZLJ-UWTATZPHSA-N
XLogP-0.26
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.08
LogP ≤ 5-0.26
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'}

Analyze (2R)-2-nitropropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Nitro-3,3,3-trifluoropropionic acid
CID 18519406
Methyl fluoronitro-acetic acid
CID 85636281
a-Nitrobutyric acid
CID 14593260
2-Nitropropanoic acid
CID 14598772
Nitropropanedioic acid
CID 19816496
Cyanonitroacetic acid
CID 21782898
2-Methyl-2-nitropropanoic acid
CID 23422945
Dihydroxyalanine
CID 53957478
2-Nitrosopropanoic acid
CID 54121669
Oxoalanine
CID 88322928
3,3-Difluoro-2-nitropropanoic acid
CID 87346608
2,2-Dinitropropionic acid
CID 18360905

Frequently Asked Questions

What is the IUPAC name of (2R)-2-nitropropanoic acid?
The IUPAC name of (2R)-2-nitropropanoic acid (CID 92979979) is (2R)-2-nitropropanoic acid.
What is the SMILES notation for (2R)-2-nitropropanoic acid?
The canonical SMILES for (2R)-2-nitropropanoic acid is C[C@H](C(=O)O)[N+](=O)[O-].
What is the InChIKey of (2R)-2-nitropropanoic acid?
The InChIKey is PTYVBEKOPJHZLJ-UWTATZPHSA-N. The full InChI is InChI=1S/C3H5NO4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)/t2-/m1/s1.
What are the key properties of (2R)-2-nitropropanoic acid?
(2R)-2-nitropropanoic acid has a molecular weight of 119.08 g/mol, XLogP of -0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-nitropropanoic acid is sourced from PubChem (CID 92979979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).