3-[(3-amino-2,2,3-trimethylbutanoyl)amino]-2-methoxypropanoic acid

C11H22N2O4 — CID 106108926

IUPAC3-[(3-amino-2,2,3-trimethylbutanoyl)amino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)C(C)(C)C(C)(C)N)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-10(2,11(3,4)12)9(16)13-6-7(17-5)8(14)15/h7H,6,12H2,1-5H3,(H,13,16)(H,14,15)
InChIKeyJECBLXNINXMZNQ-UHFFFAOYSA-N
MW246.31 g/mol
LogP-0.03
Rot. Bonds6

About 3-[(3-amino-2,2,3-trimethylbutanoyl)amino]-2-methoxypropanoic acid

3-[(3-amino-2,2,3-trimethylbutanoyl)amino]-2-methoxypropanoic acid (PubChem CID 106108926) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-[(3-amino-2,2,3-trimethylbutanoyl)amino]-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-[(3-amino-2,2,3-trimethylbutanoyl)amino]-2-methoxypropanoic acid
PubChem CID106108926
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name3-[(3-amino-2,2,3-trimethylbutanoyl)amino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)C(C)(C)C(C)(C)N)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-10(2,11(3,4)12)9(16)13-6-7(17-5)8(14)15/h7H,6,12H2,1-5H3,(H,13,16)(H,14,15)
InChIKeyJECBLXNINXMZNQ-UHFFFAOYSA-N
XLogP-0.03
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[(3-amino-2,2,3-trimethylbutanoyl)amino]-2-methoxypropanoic 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

3-[(3-amino-4,4-dimethylpentanoyl)amino]-2-methoxypropanoic acid
CID 106109020
3-amino-2,2,3-trimethyl-N-(2,3,3-trimethylbutyl)butanamide
CID 83142759
3-[[(2R)-2-aminopropanoyl]amino]-2-methoxypropanoic acid
CID 106109032
3-amino-N-(2,3-dihydroxypropyl)-2,2,3-trimethylbutanamide
CID 66170383
3-[[2-(tert-butylamino)acetyl]amino]-2-methoxypropanoic acid
CID 106108860
3-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-2-methoxypropanoic acid
CID 106109985
3-amino-N-methoxy-2,2,3-trimethylbutanamide
CID 65267021
3-[(2,2-difluoroacetyl)amino]-2-methoxypropanoic acid
CID 106107877
3-amino-N-(2-cyanopropyl)-2,2,3-trimethylbutanamide
CID 65266802
3-(2-ethylbutanoylamino)-2-methoxypropanoic acid
CID 106107186
2-methoxy-3-(propan-2-yloxycarbonylamino)propanoic acid
CID 106108243
2-methoxy-3-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]propanoic acid
CID 106110317

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-2,2,3-trimethylbutanoyl)amino]-2-methoxypropanoic acid?
The IUPAC name of 3-[(3-amino-2,2,3-trimethylbutanoyl)amino]-2-methoxypropanoic acid (CID 106108926) is 3-[(3-amino-2,2,3-trimethylbutanoyl)amino]-2-methoxypropanoic acid.
What is the SMILES notation for 3-[(3-amino-2,2,3-trimethylbutanoyl)amino]-2-methoxypropanoic acid?
The canonical SMILES for 3-[(3-amino-2,2,3-trimethylbutanoyl)amino]-2-methoxypropanoic acid is COC(CNC(=O)C(C)(C)C(C)(C)N)C(=O)O.
What is the InChIKey of 3-[(3-amino-2,2,3-trimethylbutanoyl)amino]-2-methoxypropanoic acid?
The InChIKey is JECBLXNINXMZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-10(2,11(3,4)12)9(16)13-6-7(17-5)8(14)15/h7H,6,12H2,1-5H3,(H,13,16)(H,14,15).
What are the key properties of 3-[(3-amino-2,2,3-trimethylbutanoyl)amino]-2-methoxypropanoic acid?
3-[(3-amino-2,2,3-trimethylbutanoyl)amino]-2-methoxypropanoic acid has a molecular weight of 246.31 g/mol, XLogP of -0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-2,2,3-trimethylbutanoyl)amino]-2-methoxypropanoic acid is sourced from PubChem (CID 106108926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).