2-[(4-amino-3-methylbutanoyl)amino]-3,3-dimethylbutanoic acid

C11H22N2O3 — CID 81086648

IUPAC2-[(4-amino-3-methylbutanoyl)amino]-3,3-dimethylbutanoic acid
SMILESCC(CN)CC(=O)NC(C(=O)O)C(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-7(6-12)5-8(14)13-9(10(15)16)11(2,3)4/h7,9H,5-6,12H2,1-4H3,(H,13,14)(H,15,16)
InChIKeyOXLLGAKHUPUABD-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.59
Rot. Bonds5

About 2-[(4-amino-3-methylbutanoyl)amino]-3,3-dimethylbutanoic acid

2-[(4-amino-3-methylbutanoyl)amino]-3,3-dimethylbutanoic acid (PubChem CID 81086648) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[(4-amino-3-methylbutanoyl)amino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-[(4-amino-3-methylbutanoyl)amino]-3,3-dimethylbutanoic acid
PubChem CID81086648
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-[(4-amino-3-methylbutanoyl)amino]-3,3-dimethylbutanoic acid
SMILESCC(CN)CC(=O)NC(C(=O)O)C(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-7(6-12)5-8(14)13-9(10(15)16)11(2,3)4/h7,9H,5-6,12H2,1-4H3,(H,13,14)(H,15,16)
InChIKeyOXLLGAKHUPUABD-UHFFFAOYSA-N
XLogP0.59
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(4-amino-3-methoxybutanoyl)amino]-3,3-dimethylbutanoic acid
CID 103156564
(2R)-2-[(3-amino-4,4-dimethylpentanoyl)amino]-3,3-dimethylbutanoic acid
CID 113353116
2-(3-methoxybutanoylamino)-3,3-dimethylbutanoic acid
CID 115909811
(2S)-2-[3-(ethylamino)butanoylamino]-3,3-dimethylbutanoic acid
CID 55121546
2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-3,3-dimethylbutanoic acid
CID 65229351
4-amino-N-tert-butyl-3-methylbutanamide
CID 81071972
3,3-dimethyl-2-[(2-propan-2-ylsulfanylacetyl)amino]butanoic acid
CID 43467677
(2R)-3,3-dimethyl-2-[[2-(propan-2-ylamino)acetyl]amino]butanoic acid
CID 103927229
(2S)-3,3-dimethyl-2-[(2-methylsulfanylacetyl)amino]butanoic acid
CID 61144091
6-[(4-amino-3-methylbutanoyl)amino]-2-methylheptanoic acid
CID 81080313
2-[(4-amino-3-methylbutanoyl)amino]-2-cyclopropylacetic acid
CID 81079237
(2R)-2-[(2-methoxyacetyl)amino]-3,3-dimethylbutanoic acid
CID 103926507

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3-methylbutanoyl)amino]-3,3-dimethylbutanoic acid?
The IUPAC name of 2-[(4-amino-3-methylbutanoyl)amino]-3,3-dimethylbutanoic acid (CID 81086648) is 2-[(4-amino-3-methylbutanoyl)amino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-[(4-amino-3-methylbutanoyl)amino]-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-[(4-amino-3-methylbutanoyl)amino]-3,3-dimethylbutanoic acid is CC(CN)CC(=O)NC(C(=O)O)C(C)(C)C.
What is the InChIKey of 2-[(4-amino-3-methylbutanoyl)amino]-3,3-dimethylbutanoic acid?
The InChIKey is OXLLGAKHUPUABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-7(6-12)5-8(14)13-9(10(15)16)11(2,3)4/h7,9H,5-6,12H2,1-4H3,(H,13,14)(H,15,16).
What are the key properties of 2-[(4-amino-3-methylbutanoyl)amino]-3,3-dimethylbutanoic acid?
2-[(4-amino-3-methylbutanoyl)amino]-3,3-dimethylbutanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3-methylbutanoyl)amino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 81086648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).