2-[(1-methoxy-1-oxobutan-2-yl)amino]-3-methylbutanoic acid

C10H19NO4 — CID 115353276

IUPAC2-[(1-methoxy-1-oxobutan-2-yl)amino]-3-methylbutanoic acid
SMILESCCC(NC(C(=O)O)C(C)C)C(=O)OC
InChIInChI=1S/C10H19NO4/c1-5-7(10(14)15-4)11-8(6(2)3)9(12)13/h6-8,11H,5H2,1-4H3,(H,12,13)
InChIKeyZEFZHGLOFCXEJQ-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.64
Rot. Bonds6

About 2-[(1-methoxy-1-oxobutan-2-yl)amino]-3-methylbutanoic acid

2-[(1-methoxy-1-oxobutan-2-yl)amino]-3-methylbutanoic acid (PubChem CID 115353276) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-[(1-methoxy-1-oxobutan-2-yl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[(1-methoxy-1-oxobutan-2-yl)amino]-3-methylbutanoic acid
PubChem CID115353276
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2-[(1-methoxy-1-oxobutan-2-yl)amino]-3-methylbutanoic acid
SMILESCCC(NC(C(=O)O)C(C)C)C(=O)OC
InChIInChI=1S/C10H19NO4/c1-5-7(10(14)15-4)11-8(6(2)3)9(12)13/h6-8,11H,5H2,1-4H3,(H,12,13)
InChIKeyZEFZHGLOFCXEJQ-UHFFFAOYSA-N
XLogP0.64
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(1-methoxy-1-oxobutan-2-yl)amino]-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

2-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]butanoic acid
CID 115352711
methyl 2-(3,3-dimethylbutan-2-ylamino)butanoate
CID 104827622
2-(butan-2-ylamino)-3-methylbutanoic acid
CID 12837669
methyl 2-(4-methylhexan-2-ylamino)butanoate
CID 115353461
(2S)-2-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]pent-4-enoic acid
CID 11031649
methyl (2S)-2-[[(1S,2R)-1-methoxy-1-phenylpropan-2-yl]amino]butanoate
CID 100984979
ethane;methyl (2R)-2-methylbutanoate
CID 143689114
(2S)-2-[[(2S)-2-[(1-methoxy-1-oxopropan-2-yl)amino]-4-methylpentanoyl]amino]-3-methylbutanoic acid
CID 88654234
methyl 2-[[(1S)-1-cycloheptylethyl]amino]butanoate
CID 115353551
methyl (2S)-2-acetamidobutanoate
CID 11084154
(2R)-2-(2-methoxybutanoylamino)-3-methylbutanoic acid
CID 119368911
methyl 2-[(1-amino-1-oxobutan-2-yl)amino]-4-methylpentanoate
CID 62901379

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methoxy-1-oxobutan-2-yl)amino]-3-methylbutanoic acid?
The IUPAC name of 2-[(1-methoxy-1-oxobutan-2-yl)amino]-3-methylbutanoic acid (CID 115353276) is 2-[(1-methoxy-1-oxobutan-2-yl)amino]-3-methylbutanoic acid.
What is the SMILES notation for 2-[(1-methoxy-1-oxobutan-2-yl)amino]-3-methylbutanoic acid?
The canonical SMILES for 2-[(1-methoxy-1-oxobutan-2-yl)amino]-3-methylbutanoic acid is CCC(NC(C(=O)O)C(C)C)C(=O)OC.
What is the InChIKey of 2-[(1-methoxy-1-oxobutan-2-yl)amino]-3-methylbutanoic acid?
The InChIKey is ZEFZHGLOFCXEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-5-7(10(14)15-4)11-8(6(2)3)9(12)13/h6-8,11H,5H2,1-4H3,(H,12,13).
What are the key properties of 2-[(1-methoxy-1-oxobutan-2-yl)amino]-3-methylbutanoic acid?
2-[(1-methoxy-1-oxobutan-2-yl)amino]-3-methylbutanoic acid has a molecular weight of 217.26 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methoxy-1-oxobutan-2-yl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 115353276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).