3-amino-4-[(2-methoxy-2-methylpropyl)amino]-4-oxobutanoic acid

C9H18N2O4 — CID 104761265

IUPAC3-amino-4-[(2-methoxy-2-methylpropyl)amino]-4-oxobutanoic acid
SMILESCOC(C)(C)CNC(=O)C(N)CC(=O)O
InChIInChI=1S/C9H18N2O4/c1-9(2,15-3)5-11-8(14)6(10)4-7(12)13/h6H,4-5,10H2,1-3H3,(H,11,14)(H,12,13)
InChIKeyMTZWEUWLFIPQMT-UHFFFAOYSA-N
MW218.25 g/mol
LogP-0.67
Rot. Bonds6

About 3-amino-4-[(2-methoxy-2-methylpropyl)amino]-4-oxobutanoic acid

3-amino-4-[(2-methoxy-2-methylpropyl)amino]-4-oxobutanoic acid (PubChem CID 104761265) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is 3-amino-4-[(2-methoxy-2-methylpropyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name3-amino-4-[(2-methoxy-2-methylpropyl)amino]-4-oxobutanoic acid
PubChem CID104761265
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Name3-amino-4-[(2-methoxy-2-methylpropyl)amino]-4-oxobutanoic acid
SMILESCOC(C)(C)CNC(=O)C(N)CC(=O)O
InChIInChI=1S/C9H18N2O4/c1-9(2,15-3)5-11-8(14)6(10)4-7(12)13/h6H,4-5,10H2,1-3H3,(H,11,14)(H,12,13)
InChIKeyMTZWEUWLFIPQMT-UHFFFAOYSA-N
XLogP-0.67
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-amino-4-[(2-methoxy-2-methylpropyl)amino]-4-oxobutanoic 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-amino-N-(2-methoxy-2-methylpropyl)-4-methylpentanamide
CID 115739650
3-amino-4-[(2-methyl-2-methylsulfonylpropyl)amino]-4-oxobutanoic acid
CID 79550317
3-amino-4-[(2-ethoxy-2-oxoethyl)amino]-4-oxobutanoic acid
CID 560349
3-methoxy-4-[(2-methoxy-2-methylpropyl)carbamoylamino]butanoic acid
CID 103159931
3-amino-4-(2,2-dimethoxyethylamino)-4-oxobutanoic acid
CID 64896338
(3S)-3-amino-4-(2-carboxyethylamino)-4-oxobutanoic acid
CID 7019995
(2S)-2-amino-3-(3,4-dihydroxyphenyl)-N-(2-methoxy-2-methylpropyl)propanamide
CID 104761351
2-amino-N-(2-methoxy-2-methylpropyl)-2-(oxan-4-yl)acetamide
CID 120793782
3-amino-4-oxo-4-(prop-2-ynylamino)butanoic acid
CID 64895666
(2S)-4-amino-2-[(2-methoxy-2-methylpropyl)carbamoylamino]-4-oxobutanoic acid
CID 113450673
methyl 3-[(2-amino-4-methylpentanoyl)amino]-2,2-dimethylpropanoate
CID 113266912
3-amino-4-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 64895300

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(2-methoxy-2-methylpropyl)amino]-4-oxobutanoic acid?
The IUPAC name of 3-amino-4-[(2-methoxy-2-methylpropyl)amino]-4-oxobutanoic acid (CID 104761265) is 3-amino-4-[(2-methoxy-2-methylpropyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 3-amino-4-[(2-methoxy-2-methylpropyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 3-amino-4-[(2-methoxy-2-methylpropyl)amino]-4-oxobutanoic acid is COC(C)(C)CNC(=O)C(N)CC(=O)O.
What is the InChIKey of 3-amino-4-[(2-methoxy-2-methylpropyl)amino]-4-oxobutanoic acid?
The InChIKey is MTZWEUWLFIPQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-9(2,15-3)5-11-8(14)6(10)4-7(12)13/h6H,4-5,10H2,1-3H3,(H,11,14)(H,12,13).
What are the key properties of 3-amino-4-[(2-methoxy-2-methylpropyl)amino]-4-oxobutanoic acid?
3-amino-4-[(2-methoxy-2-methylpropyl)amino]-4-oxobutanoic acid has a molecular weight of 218.25 g/mol, XLogP of -0.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(2-methoxy-2-methylpropyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 104761265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).