2-(1-methoxyethylideneamino)-3-methylbutanoic acid

C8H15NO3 — CID 91331983

IUPAC2-(1-methoxyethylideneamino)-3-methylbutanoic acid
SMILESCO/C(C)=N/C(C(=O)O)C(C)C
InChIInChI=1S/C8H15NO3/c1-5(2)7(8(10)11)9-6(3)12-4/h5,7H,1-4H3,(H,10,11)/b9-6+
InChIKeyAXGYIDMAGZQMFM-RMKNXTFCSA-N
MW173.21 g/mol
LogP1.16
Rot. Bonds3

About 2-(1-methoxyethylideneamino)-3-methylbutanoic acid

2-(1-methoxyethylideneamino)-3-methylbutanoic acid (PubChem CID 91331983) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-(1-methoxyethylideneamino)-3-methylbutanoic acid.

Molecular Properties

Compound Name2-(1-methoxyethylideneamino)-3-methylbutanoic acid
PubChem CID91331983
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name2-(1-methoxyethylideneamino)-3-methylbutanoic acid
SMILESCO/C(C)=N/C(C(=O)O)C(C)C
InChIInChI=1S/C8H15NO3/c1-5(2)7(8(10)11)9-6(3)12-4/h5,7H,1-4H3,(H,10,11)/b9-6+
InChIKeyAXGYIDMAGZQMFM-RMKNXTFCSA-N
XLogP1.16
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-(1-methoxyethylideneamino)-3-methylbutanoic 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

(2S)-2-Isocyanato-3-methylbutanoic acid
CID 18449763
n-Methylenvaline
CID 55300998
N-carbonylvaline
CID 21709263
(2S)-2-[(4-ethoxy-4-oxobutan-2-ylidene)amino]-3-methylbutanoic acid
CID 56639017
3-Methyl-2-(methylideneamino)butanoic acid
CID 76225644
2-[(1-Methoxy-3-methylbutylidene)amino]acetic acid
CID 87281586
2-[(1-Methoxy-2-methylpropylidene)amino]propanoic acid
CID 87682775
2-[(1-Methoxy-3-methylbutylidene)amino]propanoic acid
CID 87684910
(2R)-2-isocyanato-3-methylbutanoic acid
CID 88209234
CID 89733251
CID 89733251
2-[(4-Methoxy-4-oxobutan-2-ylidene)amino]-3-methylbutanoic acid
CID 91038632
2-[(4-Methoxy-3-methyl-4-oxobutan-2-ylidene)amino]propanoic acid
CID 123874602

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyethylideneamino)-3-methylbutanoic acid?
The IUPAC name of 2-(1-methoxyethylideneamino)-3-methylbutanoic acid (CID 91331983) is 2-(1-methoxyethylideneamino)-3-methylbutanoic acid.
What is the SMILES notation for 2-(1-methoxyethylideneamino)-3-methylbutanoic acid?
The canonical SMILES for 2-(1-methoxyethylideneamino)-3-methylbutanoic acid is CO/C(C)=N/C(C(=O)O)C(C)C.
What is the InChIKey of 2-(1-methoxyethylideneamino)-3-methylbutanoic acid?
The InChIKey is AXGYIDMAGZQMFM-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H15NO3/c1-5(2)7(8(10)11)9-6(3)12-4/h5,7H,1-4H3,(H,10,11)/b9-6+.
What are the key properties of 2-(1-methoxyethylideneamino)-3-methylbutanoic acid?
2-(1-methoxyethylideneamino)-3-methylbutanoic acid has a molecular weight of 173.21 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethylideneamino)-3-methylbutanoic acid is sourced from PubChem (CID 91331983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).