4-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-methylamino]butanoic acid

C13H27N3O3 — CID 61479113

IUPAC4-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-methylamino]butanoic acid
SMILESCC(C)C(CN(C)C)NC(=O)N(C)CCCC(=O)O
InChIInChI=1S/C13H27N3O3/c1-10(2)11(9-15(3)4)14-13(19)16(5)8-6-7-12(17)18/h10-11H,6-9H2,1-5H3,(H,14,19)(H,17,18)
InChIKeyQFHFZJLKXUQEAY-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.08
Rot. Bonds8

About 4-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-methylamino]butanoic acid

4-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-methylamino]butanoic acid (PubChem CID 61479113) has the molecular formula C13H27N3O3 and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-methylamino]butanoic acid
PubChem CID61479113
Molecular FormulaC13H27N3O3
Molecular Weight273.38 g/mol
Exact Mass273.21
IUPAC Name4-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-methylamino]butanoic acid
SMILESCC(C)C(CN(C)C)NC(=O)N(C)CCCC(=O)O
InChIInChI=1S/C13H27N3O3/c1-10(2)11(9-15(3)4)14-13(19)16(5)8-6-7-12(17)18/h10-11H,6-9H2,1-5H3,(H,14,19)(H,17,18)
InChIKeyQFHFZJLKXUQEAY-UHFFFAOYSA-N
XLogP1.08
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3,3-dimethylbutan-2-ylcarbamoyl(methyl)amino]butanoic acid
CID 104829242
4-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl-methylamino]butanoic acid
CID 106346533
5-[[methyl(3-methylbutyl)carbamoyl]amino]hexanoic acid
CID 82848330
4-[methyl(2-methylpropylcarbamoyl)amino]butanoic acid
CID 43151937
2-[butan-2-yl-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]amino]acetic acid
CID 61479072
2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-oxoacetic acid
CID 61479125
2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79271724
5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-methyl-5-oxopentanoic acid
CID 55156179
4-[1-(4-fluorophenyl)propan-2-ylcarbamoyl-methylamino]butanoic acid
CID 62995451
(2S)-2-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-3-methylbutanoic acid
CID 63701166
4-[methyl-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]amino]butanoic acid
CID 114139559
4-[methyl(2,2,3-trimethylbutylcarbamoyl)amino]butanoic acid
CID 114101324

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-methylamino]butanoic acid?
The IUPAC name of 4-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-methylamino]butanoic acid (CID 61479113) is 4-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-methylamino]butanoic acid.
What is the SMILES notation for 4-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-methylamino]butanoic acid?
The canonical SMILES for 4-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-methylamino]butanoic acid is CC(C)C(CN(C)C)NC(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-methylamino]butanoic acid?
The InChIKey is QFHFZJLKXUQEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3/c1-10(2)11(9-15(3)4)14-13(19)16(5)8-6-7-12(17)18/h10-11H,6-9H2,1-5H3,(H,14,19)(H,17,18).
What are the key properties of 4-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-methylamino]butanoic acid?
4-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-methylamino]butanoic acid has a molecular weight of 273.38 g/mol, XLogP of 1.08, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-methylamino]butanoic acid is sourced from PubChem (CID 61479113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).