3-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2,2,3-trimethylbutanoic acid

C13H27N3O3 — CID 82949384

IUPAC3-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2,2,3-trimethylbutanoic acid
SMILESCC(CN(C)C)NC(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C13H27N3O3/c1-9(8-16(6)7)14-11(19)15-13(4,5)12(2,3)10(17)18/h9H,8H2,1-7H3,(H,17,18)(H2,14,15,19)
InChIKeyLRJICZHJZIDXIY-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.13
Rot. Bonds6

About 3-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2,2,3-trimethylbutanoic acid

3-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2,2,3-trimethylbutanoic acid (PubChem CID 82949384) has the molecular formula C13H27N3O3 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2,2,3-trimethylbutanoic acid.

Molecular Properties

Compound Name3-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2,2,3-trimethylbutanoic acid
PubChem CID82949384
Molecular FormulaC13H27N3O3
Molecular Weight273.38 g/mol
Exact Mass273.21
IUPAC Name3-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2,2,3-trimethylbutanoic acid
SMILESCC(CN(C)C)NC(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C13H27N3O3/c1-9(8-16(6)7)14-11(19)15-13(4,5)12(2,3)10(17)18/h9H,8H2,1-7H3,(H,17,18)(H2,14,15,19)
InChIKeyLRJICZHJZIDXIY-UHFFFAOYSA-N
XLogP1.13
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2,2,3-trimethylbutanoic acid?
The IUPAC name of 3-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2,2,3-trimethylbutanoic acid (CID 82949384) is 3-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2,2,3-trimethylbutanoic acid.
What is the SMILES notation for 3-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2,2,3-trimethylbutanoic acid?
The canonical SMILES for 3-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2,2,3-trimethylbutanoic acid is CC(CN(C)C)NC(=O)NC(C)(C)C(C)(C)C(=O)O.
What is the InChIKey of 3-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2,2,3-trimethylbutanoic acid?
The InChIKey is LRJICZHJZIDXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3/c1-9(8-16(6)7)14-11(19)15-13(4,5)12(2,3)10(17)18/h9H,8H2,1-7H3,(H,17,18)(H2,14,15,19).
What are the key properties of 3-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2,2,3-trimethylbutanoic acid?
3-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2,2,3-trimethylbutanoic acid has a molecular weight of 273.38 g/mol, XLogP of 1.13, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2,2,3-trimethylbutanoic acid is sourced from PubChem (CID 82949384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).