3-methyl-3-[[2-methyl-2-(methylamino)propanoyl]amino]butanoic acid

C10H20N2O3 — CID 64684702

IUPAC3-methyl-3-[[2-methyl-2-(methylamino)propanoyl]amino]butanoic acid
SMILESCNC(C)(C)C(=O)NC(C)(C)CC(=O)O
InChIInChI=1S/C10H20N2O3/c1-9(2,6-7(13)14)12-8(15)10(3,4)11-5/h11H,6H2,1-5H3,(H,12,15)(H,13,14)
InChIKeyGRIXBFHUFHSXHP-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.35
Rot. Bonds5

About 3-methyl-3-[[2-methyl-2-(methylamino)propanoyl]amino]butanoic acid

3-methyl-3-[[2-methyl-2-(methylamino)propanoyl]amino]butanoic acid (PubChem CID 64684702) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-methyl-3-[[2-methyl-2-(methylamino)propanoyl]amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-3-[[2-methyl-2-(methylamino)propanoyl]amino]butanoic acid
PubChem CID64684702
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name3-methyl-3-[[2-methyl-2-(methylamino)propanoyl]amino]butanoic acid
SMILESCNC(C)(C)C(=O)NC(C)(C)CC(=O)O
InChIInChI=1S/C10H20N2O3/c1-9(2,6-7(13)14)12-8(15)10(3,4)11-5/h11H,6H2,1-5H3,(H,12,15)(H,13,14)
InChIKeyGRIXBFHUFHSXHP-UHFFFAOYSA-N
XLogP0.35
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-methyl-2-(methylamino)propanoyl]amino]butanoic acid
CID 62846365
3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-3-methylbutanoic acid
CID 64670863
3-methyl-3-(3-methylbut-2-enoylamino)butanoic acid
CID 64671332
3-methyl-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]butanoic acid
CID 64702407
3-(2,3-dimethylbutanoylamino)-3-methylbutanoic acid
CID 64670496
3-[(3-amino-3-methylbutanoyl)amino]-3-methylbutanoic acid;hydrochloride
CID 86811663
N,2-dimethyl-2-(methylamino)propanamide;hydrochloride
CID 75530899
3-(3-aminobutanoylamino)-3-methylbutanoic acid
CID 64684104
3-methyl-3-(pyrrolidine-1-carbonylamino)butanoic acid
CID 64700424
3-methyl-3-(2-methylpropylcarbamoylamino)butanoic acid
CID 64702187
3-methyl-3-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 64700228
3-(cyclobutylcarbamoylamino)-3-methylbutanoic acid
CID 64700127

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[[2-methyl-2-(methylamino)propanoyl]amino]butanoic acid?
The IUPAC name of 3-methyl-3-[[2-methyl-2-(methylamino)propanoyl]amino]butanoic acid (CID 64684702) is 3-methyl-3-[[2-methyl-2-(methylamino)propanoyl]amino]butanoic acid.
What is the SMILES notation for 3-methyl-3-[[2-methyl-2-(methylamino)propanoyl]amino]butanoic acid?
The canonical SMILES for 3-methyl-3-[[2-methyl-2-(methylamino)propanoyl]amino]butanoic acid is CNC(C)(C)C(=O)NC(C)(C)CC(=O)O.
What is the InChIKey of 3-methyl-3-[[2-methyl-2-(methylamino)propanoyl]amino]butanoic acid?
The InChIKey is GRIXBFHUFHSXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-9(2,6-7(13)14)12-8(15)10(3,4)11-5/h11H,6H2,1-5H3,(H,12,15)(H,13,14).
What are the key properties of 3-methyl-3-[[2-methyl-2-(methylamino)propanoyl]amino]butanoic acid?
3-methyl-3-[[2-methyl-2-(methylamino)propanoyl]amino]butanoic acid has a molecular weight of 216.28 g/mol, XLogP of 0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[[2-methyl-2-(methylamino)propanoyl]amino]butanoic acid is sourced from PubChem (CID 64684702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).