(2E)-2-(2-methylbutoxyimino)propanoic acid

C8H15NO3 — CID 137333348

IUPAC(2E)-2-(2-methylbutoxyimino)propanoic acid
SMILESCCC(C)CO/N=C(\C)C(=O)O
InChIInChI=1S/C8H15NO3/c1-4-6(2)5-12-9-7(3)8(10)11/h6H,4-5H2,1-3H3,(H,10,11)/b9-7+
InChIKeyCOUOZYQCCOAUME-VQHVLOKHSA-N
MW173.21 g/mol
LogP1.51
Rot. Bonds5

About (2E)-2-(2-methylbutoxyimino)propanoic acid

(2E)-2-(2-methylbutoxyimino)propanoic acid (PubChem CID 137333348) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is (2E)-2-(2-methylbutoxyimino)propanoic acid.

Molecular Properties

Compound Name(2E)-2-(2-methylbutoxyimino)propanoic acid
PubChem CID137333348
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name(2E)-2-(2-methylbutoxyimino)propanoic acid
SMILESCCC(C)CO/N=C(\C)C(=O)O
InChIInChI=1S/C8H15NO3/c1-4-6(2)5-12-9-7(3)8(10)11/h6H,4-5H2,1-3H3,(H,10,11)/b9-7+
InChIKeyCOUOZYQCCOAUME-VQHVLOKHSA-N
XLogP1.51
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-(methoxyimino)-3-methylbutanoic acid
CID 13908931
(E)-2-(butoxyimino)propanoic acid
CID 137333376
(E)-2-((2-ethylbutoxy)imino)propanoic acid
CID 137333378
(E)-2-(((2-methylpentyl)oxy)imino)propanoic acid
CID 137333392
(E)-2-((cyclobutylmethoxy)imino)propanoic acid
CID 137333394
(E)-2-(isobutoxyimino)propanoic acid
CID 137333430
(E)-2-((neopentyloxy)imino)propanoic acid
CID 137333434
(2E)-2-pentoxyiminopropanoic acid
CID 177849756
2-Ethoxyiminobutanoic acid
CID 301246
(2E)-2-ethoxyiminobutanoic acid
CID 6180402
(2E)-2-hydroxyimino-3-methylbutanoic acid
CID 13012724
(2E)-2-ethoxyiminopropanoic acid
CID 13210059

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(2-methylbutoxyimino)propanoic acid?
The IUPAC name of (2E)-2-(2-methylbutoxyimino)propanoic acid (CID 137333348) is (2E)-2-(2-methylbutoxyimino)propanoic acid.
What is the SMILES notation for (2E)-2-(2-methylbutoxyimino)propanoic acid?
The canonical SMILES for (2E)-2-(2-methylbutoxyimino)propanoic acid is CCC(C)CO/N=C(\C)C(=O)O.
What is the InChIKey of (2E)-2-(2-methylbutoxyimino)propanoic acid?
The InChIKey is COUOZYQCCOAUME-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H15NO3/c1-4-6(2)5-12-9-7(3)8(10)11/h6H,4-5H2,1-3H3,(H,10,11)/b9-7+.
What are the key properties of (2E)-2-(2-methylbutoxyimino)propanoic acid?
(2E)-2-(2-methylbutoxyimino)propanoic acid has a molecular weight of 173.21 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(2-methylbutoxyimino)propanoic acid is sourced from PubChem (CID 137333348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).