2-(formyloxyamino)-3-methylpentanoic acid

C7H13NO4 — CID 174920708

IUPAC2-(formyloxyamino)-3-methylpentanoic acid
SMILESCCC(C)C(NOC=O)C(=O)O
InChIInChI=1S/C7H13NO4/c1-3-5(2)6(7(10)11)8-12-4-9/h4-6,8H,3H2,1-2H3,(H,10,11)
InChIKeyBZBSUTGAFZWQGC-UHFFFAOYSA-N
MW175.18 g/mol
LogP0.16
Rot. Bonds6

About 2-(formyloxyamino)-3-methylpentanoic acid

2-(formyloxyamino)-3-methylpentanoic acid (PubChem CID 174920708) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is 2-(formyloxyamino)-3-methylpentanoic acid.

Molecular Properties

Compound Name2-(formyloxyamino)-3-methylpentanoic acid
PubChem CID174920708
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name2-(formyloxyamino)-3-methylpentanoic acid
SMILESCCC(C)C(NOC=O)C(=O)O
InChIInChI=1S/C7H13NO4/c1-3-5(2)6(7(10)11)8-12-4-9/h4-6,8H,3H2,1-2H3,(H,10,11)
InChIKeyBZBSUTGAFZWQGC-UHFFFAOYSA-N
XLogP0.16
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(formyloxyamino)-3-methylpentanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(formyloxyamino)-3-methylpentanoic acid?
The IUPAC name of 2-(formyloxyamino)-3-methylpentanoic acid (CID 174920708) is 2-(formyloxyamino)-3-methylpentanoic acid.
What is the SMILES notation for 2-(formyloxyamino)-3-methylpentanoic acid?
The canonical SMILES for 2-(formyloxyamino)-3-methylpentanoic acid is CCC(C)C(NOC=O)C(=O)O.
What is the InChIKey of 2-(formyloxyamino)-3-methylpentanoic acid?
The InChIKey is BZBSUTGAFZWQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4/c1-3-5(2)6(7(10)11)8-12-4-9/h4-6,8H,3H2,1-2H3,(H,10,11).
What are the key properties of 2-(formyloxyamino)-3-methylpentanoic acid?
2-(formyloxyamino)-3-methylpentanoic acid has a molecular weight of 175.18 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(formyloxyamino)-3-methylpentanoic acid is sourced from PubChem (CID 174920708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).