3-[(3-amino-3-methylbutanoyl)amino]-2,2,3-trimethylbutanoic acid

C12H24N2O3 — CID 65265747

IUPAC3-[(3-amino-3-methylbutanoyl)amino]-2,2,3-trimethylbutanoic acid
SMILESCC(C)(N)CC(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-10(2,13)7-8(15)14-12(5,6)11(3,4)9(16)17/h7,13H2,1-6H3,(H,14,15)(H,16,17)
InChIKeyGFNWXTBHWBQKCH-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.12
Rot. Bonds5

About 3-[(3-amino-3-methylbutanoyl)amino]-2,2,3-trimethylbutanoic acid

3-[(3-amino-3-methylbutanoyl)amino]-2,2,3-trimethylbutanoic acid (PubChem CID 65265747) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 3-[(3-amino-3-methylbutanoyl)amino]-2,2,3-trimethylbutanoic acid.

Molecular Properties

Compound Name3-[(3-amino-3-methylbutanoyl)amino]-2,2,3-trimethylbutanoic acid
PubChem CID65265747
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name3-[(3-amino-3-methylbutanoyl)amino]-2,2,3-trimethylbutanoic acid
SMILESCC(C)(N)CC(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-10(2,13)7-8(15)14-12(5,6)11(3,4)9(16)17/h7,13H2,1-6H3,(H,14,15)(H,16,17)
InChIKeyGFNWXTBHWBQKCH-UHFFFAOYSA-N
XLogP1.12
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methoxyacetyl)amino]-2,2,3-trimethylbutanoic acid
CID 65261289
3-[(3-amino-3-methylbutanoyl)amino]-3-methylbutanoic acid;hydrochloride
CID 86811663
3-amino-3-methyl-N-(2-methylbut-3-yn-2-yl)butanamide
CID 64677680
3-[(1-aminocyclopropanecarbonyl)amino]-2,2,3-trimethylbutanoic acid
CID 65456793
3-amino-N-[3-(hydroxymethyl)pentan-3-yl]-3-methylbutanamide
CID 64676838
3-[3-(ethylamino)butanoylamino]-2,2,3-trimethylbutanoic acid
CID 65265611
3-[(2-butylsulfanylacetyl)amino]-2,2,3-trimethylbutanoic acid
CID 65261294
3-[(3-amino-3-methylbutanoyl)amino]-2-methylpropanoic acid
CID 64678333
3-(diethylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65265975
3-[[2-(3-aminophenyl)acetyl]amino]-2,2,3-trimethylbutanoic acid
CID 65350217
3-amino-3-methyl-N-[(2-methylpropan-2-yl)oxy]butanamide
CID 82724126
2,2,3-trimethyl-3-(prop-2-ynoylamino)butanoic acid
CID 65261167

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-3-methylbutanoyl)amino]-2,2,3-trimethylbutanoic acid?
The IUPAC name of 3-[(3-amino-3-methylbutanoyl)amino]-2,2,3-trimethylbutanoic acid (CID 65265747) is 3-[(3-amino-3-methylbutanoyl)amino]-2,2,3-trimethylbutanoic acid.
What is the SMILES notation for 3-[(3-amino-3-methylbutanoyl)amino]-2,2,3-trimethylbutanoic acid?
The canonical SMILES for 3-[(3-amino-3-methylbutanoyl)amino]-2,2,3-trimethylbutanoic acid is CC(C)(N)CC(=O)NC(C)(C)C(C)(C)C(=O)O.
What is the InChIKey of 3-[(3-amino-3-methylbutanoyl)amino]-2,2,3-trimethylbutanoic acid?
The InChIKey is GFNWXTBHWBQKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-10(2,13)7-8(15)14-12(5,6)11(3,4)9(16)17/h7,13H2,1-6H3,(H,14,15)(H,16,17).
What are the key properties of 3-[(3-amino-3-methylbutanoyl)amino]-2,2,3-trimethylbutanoic acid?
3-[(3-amino-3-methylbutanoyl)amino]-2,2,3-trimethylbutanoic acid has a molecular weight of 244.33 g/mol, XLogP of 1.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-3-methylbutanoyl)amino]-2,2,3-trimethylbutanoic acid is sourced from PubChem (CID 65265747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).