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

C13H24N2O4 — CID 81369309

IUPAC3-[2-(2,2-dimethylpropanoylamino)propanoylamino]-2,2-dimethylpropanoic acid
SMILESCC(NC(=O)C(C)(C)C)C(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-8(15-10(17)12(2,3)4)9(16)14-7-13(5,6)11(18)19/h8H,7H2,1-6H3,(H,14,16)(H,15,17)(H,18,19)
InChIKeyABESKOMFNQSUHN-UHFFFAOYSA-N
MW272.35 g/mol
LogP0.76
Rot. Bonds5

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

3-[2-(2,2-dimethylpropanoylamino)propanoylamino]-2,2-dimethylpropanoic acid (PubChem CID 81369309) has the molecular formula C13H24N2O4 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-[2-(2,2-dimethylpropanoylamino)propanoylamino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[2-(2,2-dimethylpropanoylamino)propanoylamino]-2,2-dimethylpropanoic acid
PubChem CID81369309
Molecular FormulaC13H24N2O4
Molecular Weight272.35 g/mol
Exact Mass272.17
IUPAC Name3-[2-(2,2-dimethylpropanoylamino)propanoylamino]-2,2-dimethylpropanoic acid
SMILESCC(NC(=O)C(C)(C)C)C(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-8(15-10(17)12(2,3)4)9(16)14-7-13(5,6)11(18)19/h8H,7H2,1-6H3,(H,14,16)(H,15,17)(H,18,19)
InChIKeyABESKOMFNQSUHN-UHFFFAOYSA-N
XLogP0.76
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(2-hydroxy-2,3-dimethylbutyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 111484536
N-[1-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 109380616
2,2-dimethyl-3-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamoylamino]propanoic acid
CID 113407992
3-(2-aminopropanoylamino)-2,2-dimethylpropanoic acid
CID 115427893
2,2-dimethyl-N-[1-[[2-(methylamino)-2-oxoethyl]amino]-1-oxopropan-2-yl]propanamide
CID 43054474
N-[1-(4-hydroxybutylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 106843633
N-[1-(5-hydroxypentylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 107319030
N-[1-(3-aminobutylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride
CID 119498705
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 54209319
2,2-dimethyl-3-[(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid
CID 115731634
(2R)-2-[2-(2,2-dimethylpropanoylamino)propanoylamino]-3-hydroxypropanoic acid
CID 80750475
3-(2-aminobutanoylamino)-2,2-dimethylpropanoic acid
CID 115427879

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,2-dimethylpropanoylamino)propanoylamino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[2-(2,2-dimethylpropanoylamino)propanoylamino]-2,2-dimethylpropanoic acid (CID 81369309) is 3-[2-(2,2-dimethylpropanoylamino)propanoylamino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[2-(2,2-dimethylpropanoylamino)propanoylamino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[2-(2,2-dimethylpropanoylamino)propanoylamino]-2,2-dimethylpropanoic acid is CC(NC(=O)C(C)(C)C)C(=O)NCC(C)(C)C(=O)O.
What is the InChIKey of 3-[2-(2,2-dimethylpropanoylamino)propanoylamino]-2,2-dimethylpropanoic acid?
The InChIKey is ABESKOMFNQSUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-8(15-10(17)12(2,3)4)9(16)14-7-13(5,6)11(18)19/h8H,7H2,1-6H3,(H,14,16)(H,15,17)(H,18,19).
What are the key properties of 3-[2-(2,2-dimethylpropanoylamino)propanoylamino]-2,2-dimethylpropanoic acid?
3-[2-(2,2-dimethylpropanoylamino)propanoylamino]-2,2-dimethylpropanoic acid has a molecular weight of 272.35 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,2-dimethylpropanoylamino)propanoylamino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 81369309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).