2-(2-nitrosopropylimino)propanoic acid

C6H10N2O3 — CID 123808557

IUPAC2-(2-nitrosopropylimino)propanoic acid
SMILESC/C(=N\CC(C)N=O)C(=O)O
InChIInChI=1S/C6H10N2O3/c1-4(8-11)3-7-5(2)6(9)10/h4H,3H2,1-2H3,(H,9,10)/b7-5+
InChIKeyCLCOETLSPBQOAD-FNORWQNLSA-N
MW158.16 g/mol
LogP0.69
Rot. Bonds4

About 2-(2-nitrosopropylimino)propanoic acid

2-(2-nitrosopropylimino)propanoic acid (PubChem CID 123808557) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is 2-(2-nitrosopropylimino)propanoic acid.

Molecular Properties

Compound Name2-(2-nitrosopropylimino)propanoic acid
PubChem CID123808557
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name2-(2-nitrosopropylimino)propanoic acid
SMILESC/C(=N\CC(C)N=O)C(=O)O
InChIInChI=1S/C6H10N2O3/c1-4(8-11)3-7-5(2)6(9)10/h4H,3H2,1-2H3,(H,9,10)/b7-5+
InChIKeyCLCOETLSPBQOAD-FNORWQNLSA-N
XLogP0.69
TPSA79.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrosopropylimino)propanoic acid?
The IUPAC name of 2-(2-nitrosopropylimino)propanoic acid (CID 123808557) is 2-(2-nitrosopropylimino)propanoic acid.
What is the SMILES notation for 2-(2-nitrosopropylimino)propanoic acid?
The canonical SMILES for 2-(2-nitrosopropylimino)propanoic acid is C/C(=N\CC(C)N=O)C(=O)O.
What is the InChIKey of 2-(2-nitrosopropylimino)propanoic acid?
The InChIKey is CLCOETLSPBQOAD-FNORWQNLSA-N. The full InChI is InChI=1S/C6H10N2O3/c1-4(8-11)3-7-5(2)6(9)10/h4H,3H2,1-2H3,(H,9,10)/b7-5+.
What are the key properties of 2-(2-nitrosopropylimino)propanoic acid?
2-(2-nitrosopropylimino)propanoic acid has a molecular weight of 158.16 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrosopropylimino)propanoic acid is sourced from PubChem (CID 123808557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).