3-[formyl(methoxy)amino]-2-methylbutanoic acid

C7H13NO4 — CID 20711877

IUPAC3-[formyl(methoxy)amino]-2-methylbutanoic acid
SMILESCON(C=O)C(C)C(C)C(=O)O
InChIInChI=1S/C7H13NO4/c1-5(7(10)11)6(2)8(4-9)12-3/h4-6H,1-3H3,(H,10,11)
InChIKeyKWYZLPBEVAWLJN-UHFFFAOYSA-N
MW175.18 g/mol
LogP0.12
Rot. Bonds5

About 3-[formyl(methoxy)amino]-2-methylbutanoic acid

3-[formyl(methoxy)amino]-2-methylbutanoic acid (PubChem CID 20711877) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is 3-[formyl(methoxy)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name3-[formyl(methoxy)amino]-2-methylbutanoic acid
PubChem CID20711877
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name3-[formyl(methoxy)amino]-2-methylbutanoic acid
SMILESCON(C=O)C(C)C(C)C(=O)O
InChIInChI=1S/C7H13NO4/c1-5(7(10)11)6(2)8(4-9)12-3/h4-6H,1-3H3,(H,10,11)
InChIKeyKWYZLPBEVAWLJN-UHFFFAOYSA-N
XLogP0.12
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[formyl(methoxy)amino]-2-methylbutanoic acid?
The IUPAC name of 3-[formyl(methoxy)amino]-2-methylbutanoic acid (CID 20711877) is 3-[formyl(methoxy)amino]-2-methylbutanoic acid.
What is the SMILES notation for 3-[formyl(methoxy)amino]-2-methylbutanoic acid?
The canonical SMILES for 3-[formyl(methoxy)amino]-2-methylbutanoic acid is CON(C=O)C(C)C(C)C(=O)O.
What is the InChIKey of 3-[formyl(methoxy)amino]-2-methylbutanoic acid?
The InChIKey is KWYZLPBEVAWLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4/c1-5(7(10)11)6(2)8(4-9)12-3/h4-6H,1-3H3,(H,10,11).
What are the key properties of 3-[formyl(methoxy)amino]-2-methylbutanoic acid?
3-[formyl(methoxy)amino]-2-methylbutanoic acid has a molecular weight of 175.18 g/mol, XLogP of 0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[formyl(methoxy)amino]-2-methylbutanoic acid is sourced from PubChem (CID 20711877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).