4-[[1-(dimethylamino)cyclobutyl]methylamino]-2,3-dimethyl-4-oxobutanoic acid

C13H24N2O3 — CID 103499360

IUPAC4-[[1-(dimethylamino)cyclobutyl]methylamino]-2,3-dimethyl-4-oxobutanoic acid
SMILESCC(C(=O)O)C(C)C(=O)NCC1(N(C)C)CCC1
InChIInChI=1S/C13H24N2O3/c1-9(10(2)12(17)18)11(16)14-8-13(15(3)4)6-5-7-13/h9-10H,5-8H2,1-4H3,(H,14,16)(H,17,18)
InChIKeyRIFLQKLATVFRJM-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.94
Rot. Bonds6

About 4-[[1-(dimethylamino)cyclobutyl]methylamino]-2,3-dimethyl-4-oxobutanoic acid

4-[[1-(dimethylamino)cyclobutyl]methylamino]-2,3-dimethyl-4-oxobutanoic acid (PubChem CID 103499360) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-[[1-(dimethylamino)cyclobutyl]methylamino]-2,3-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[[1-(dimethylamino)cyclobutyl]methylamino]-2,3-dimethyl-4-oxobutanoic acid
PubChem CID103499360
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name4-[[1-(dimethylamino)cyclobutyl]methylamino]-2,3-dimethyl-4-oxobutanoic acid
SMILESCC(C(=O)O)C(C)C(=O)NCC1(N(C)C)CCC1
InChIInChI=1S/C13H24N2O3/c1-9(10(2)12(17)18)11(16)14-8-13(15(3)4)6-5-7-13/h9-10H,5-8H2,1-4H3,(H,14,16)(H,17,18)
InChIKeyRIFLQKLATVFRJM-UHFFFAOYSA-N
XLogP0.94
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methylbutanamide
CID 105417065
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methoxypropanamide
CID 105420622
N-[[1-(dimethylamino)cyclobutyl]methyl]-2,2-difluoroacetamide
CID 103516127
N-[[1-(dimethylamino)cyclopentyl]methyl]-2-sulfanylpropanamide
CID 107034071
1-[[1-(dimethylamino)cyclobutyl]methyl]-3-propan-2-ylurea
CID 105408997
(2S,3S)-2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methylpentanamide
CID 105417156
4-[(1-hydroxycyclohexyl)methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498630
(2S)-2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3,3-dimethylbutanamide
CID 105417333
2-cyano-N-[[1-(dimethylamino)cyclopentyl]methyl]propanamide
CID 78996361
2-[[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]methyl]-3-methylbutanoic acid
CID 83113826
2-[[1-(dimethylamino)cyclopentyl]methylcarbamoyl-methylamino]acetic acid
CID 83120548
N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 47031359

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(dimethylamino)cyclobutyl]methylamino]-2,3-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-[[1-(dimethylamino)cyclobutyl]methylamino]-2,3-dimethyl-4-oxobutanoic acid (CID 103499360) is 4-[[1-(dimethylamino)cyclobutyl]methylamino]-2,3-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[[1-(dimethylamino)cyclobutyl]methylamino]-2,3-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[[1-(dimethylamino)cyclobutyl]methylamino]-2,3-dimethyl-4-oxobutanoic acid is CC(C(=O)O)C(C)C(=O)NCC1(N(C)C)CCC1.
What is the InChIKey of 4-[[1-(dimethylamino)cyclobutyl]methylamino]-2,3-dimethyl-4-oxobutanoic acid?
The InChIKey is RIFLQKLATVFRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9(10(2)12(17)18)11(16)14-8-13(15(3)4)6-5-7-13/h9-10H,5-8H2,1-4H3,(H,14,16)(H,17,18).
What are the key properties of 4-[[1-(dimethylamino)cyclobutyl]methylamino]-2,3-dimethyl-4-oxobutanoic acid?
4-[[1-(dimethylamino)cyclobutyl]methylamino]-2,3-dimethyl-4-oxobutanoic acid has a molecular weight of 256.35 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(dimethylamino)cyclobutyl]methylamino]-2,3-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 103499360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).