2-[3-(2,2-dimethylpropanoylamino)propanoylamino]-2-methylbutanoic acid

C13H24N2O4 — CID 79792553

IUPAC2-[3-(2,2-dimethylpropanoylamino)propanoylamino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)CCNC(=O)C(C)(C)C)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-6-13(5,11(18)19)15-9(16)7-8-14-10(17)12(2,3)4/h6-8H2,1-5H3,(H,14,17)(H,15,16)(H,18,19)
InChIKeyHHJVGBXSLWJIEF-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.91
Rot. Bonds6

About 2-[3-(2,2-dimethylpropanoylamino)propanoylamino]-2-methylbutanoic acid

2-[3-(2,2-dimethylpropanoylamino)propanoylamino]-2-methylbutanoic acid (PubChem CID 79792553) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-[3-(2,2-dimethylpropanoylamino)propanoylamino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[3-(2,2-dimethylpropanoylamino)propanoylamino]-2-methylbutanoic acid
PubChem CID79792553
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-[3-(2,2-dimethylpropanoylamino)propanoylamino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)CCNC(=O)C(C)(C)C)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-6-13(5,11(18)19)15-9(16)7-8-14-10(17)12(2,3)4/h6-8H2,1-5H3,(H,14,17)(H,15,16)(H,18,19)
InChIKeyHHJVGBXSLWJIEF-UHFFFAOYSA-N
XLogP0.91
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2,2-dimethylpropanoylamino)propanoylamino]-2-methylpentanoic acid
CID 43618799
N-[3-[(3-hydroxy-2-methylbutan-2-yl)amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 115884650
2-(3-benzamidopropanoylamino)-2-methylbutanoic acid
CID 79789289
(2R)-2-(4,4-dimethylpentanoylamino)-2-methylbutanoic acid
CID 97233847
2-(3-acetamidopropanoylamino)-2-methylpentanoic acid
CID 43618824
(2S)-2-acetamido-2-methylbutanoic acid
CID 71355971
2-[[2-(butanoylamino)acetyl]amino]-2-methylbutanoic acid
CID 119199520
(2S)-2-[3-(2,2-dimethylpropanoylamino)propanoylamino]-3,3-dimethylbutanoic acid
CID 61143118
methyl (2S)-2-[3-(2,2-dimethylpropanoylamino)propanoylamino]-2-phenylbutanoate
CID 95308682
4-amino-2-[3-(2,2-dimethylpropanoylamino)propanoylamino]-4-oxobutanoic acid
CID 43171415
2-[4-(2-aminoethyl)heptanoylamino]-2-methylbutanoic acid
CID 79798912
3-[[3-(2,2-dimethylpropanoylamino)propanoylamino]methyl]pentanoic acid
CID 81065507

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2-dimethylpropanoylamino)propanoylamino]-2-methylbutanoic acid?
The IUPAC name of 2-[3-(2,2-dimethylpropanoylamino)propanoylamino]-2-methylbutanoic acid (CID 79792553) is 2-[3-(2,2-dimethylpropanoylamino)propanoylamino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[3-(2,2-dimethylpropanoylamino)propanoylamino]-2-methylbutanoic acid?
The canonical SMILES for 2-[3-(2,2-dimethylpropanoylamino)propanoylamino]-2-methylbutanoic acid is CCC(C)(NC(=O)CCNC(=O)C(C)(C)C)C(=O)O.
What is the InChIKey of 2-[3-(2,2-dimethylpropanoylamino)propanoylamino]-2-methylbutanoic acid?
The InChIKey is HHJVGBXSLWJIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-6-13(5,11(18)19)15-9(16)7-8-14-10(17)12(2,3)4/h6-8H2,1-5H3,(H,14,17)(H,15,16)(H,18,19).
What are the key properties of 2-[3-(2,2-dimethylpropanoylamino)propanoylamino]-2-methylbutanoic acid?
2-[3-(2,2-dimethylpropanoylamino)propanoylamino]-2-methylbutanoic acid has a molecular weight of 272.34 g/mol, XLogP of 0.91, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2-dimethylpropanoylamino)propanoylamino]-2-methylbutanoic acid is sourced from PubChem (CID 79792553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).