4-[3,3-dimethylbutan-2-ylcarbamoyl(methyl)amino]butanoic acid

C12H24N2O3 — CID 104829242

IUPAC4-[3,3-dimethylbutan-2-ylcarbamoyl(methyl)amino]butanoic acid
SMILESCC(NC(=O)N(C)CCCC(=O)O)C(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-9(12(2,3)4)13-11(17)14(5)8-6-7-10(15)16/h9H,6-8H2,1-5H3,(H,13,17)(H,15,16)
InChIKeyRQJYHTYLDIWBED-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.93
Rot. Bonds5

About 4-[3,3-dimethylbutan-2-ylcarbamoyl(methyl)amino]butanoic acid

4-[3,3-dimethylbutan-2-ylcarbamoyl(methyl)amino]butanoic acid (PubChem CID 104829242) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 4-[3,3-dimethylbutan-2-ylcarbamoyl(methyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[3,3-dimethylbutan-2-ylcarbamoyl(methyl)amino]butanoic acid
PubChem CID104829242
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name4-[3,3-dimethylbutan-2-ylcarbamoyl(methyl)amino]butanoic acid
SMILESCC(NC(=O)N(C)CCCC(=O)O)C(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-9(12(2,3)4)13-11(17)14(5)8-6-7-10(15)16/h9H,6-8H2,1-5H3,(H,13,17)(H,15,16)
InChIKeyRQJYHTYLDIWBED-UHFFFAOYSA-N
XLogP1.93
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-methylamino]butanoic acid
CID 61479113
4-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl-methylamino]butanoic acid
CID 106346533
4-[methyl(2,2,3-trimethylbutylcarbamoyl)amino]butanoic acid
CID 114101324
5-(3,3-dimethylbutan-2-ylamino)-5-oxopentanoic acid
CID 104827520
4-[methyl(2-methylpropylcarbamoyl)amino]butanoic acid
CID 43151937
5-[[methyl(3-methylbutyl)carbamoyl]amino]hexanoic acid
CID 82848330
2-[carboxymethyl(3,3-dimethylbutan-2-ylcarbamoyl)amino]acetic acid
CID 104829180
4-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]butanoic acid
CID 63292151
4-[1-(4-fluorophenyl)propan-2-ylcarbamoyl-methylamino]butanoic acid
CID 62995451
4-[methyl-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]amino]butanoic acid
CID 114139559
4-[2-methoxypropanoyl(methyl)amino]butanoic acid
CID 115729894
3-[methyl(pentan-2-ylcarbamoyl)amino]propanoic acid
CID 61181867

Frequently Asked Questions

What is the IUPAC name of 4-[3,3-dimethylbutan-2-ylcarbamoyl(methyl)amino]butanoic acid?
The IUPAC name of 4-[3,3-dimethylbutan-2-ylcarbamoyl(methyl)amino]butanoic acid (CID 104829242) is 4-[3,3-dimethylbutan-2-ylcarbamoyl(methyl)amino]butanoic acid.
What is the SMILES notation for 4-[3,3-dimethylbutan-2-ylcarbamoyl(methyl)amino]butanoic acid?
The canonical SMILES for 4-[3,3-dimethylbutan-2-ylcarbamoyl(methyl)amino]butanoic acid is CC(NC(=O)N(C)CCCC(=O)O)C(C)(C)C.
What is the InChIKey of 4-[3,3-dimethylbutan-2-ylcarbamoyl(methyl)amino]butanoic acid?
The InChIKey is RQJYHTYLDIWBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-9(12(2,3)4)13-11(17)14(5)8-6-7-10(15)16/h9H,6-8H2,1-5H3,(H,13,17)(H,15,16).
What are the key properties of 4-[3,3-dimethylbutan-2-ylcarbamoyl(methyl)amino]butanoic acid?
4-[3,3-dimethylbutan-2-ylcarbamoyl(methyl)amino]butanoic acid has a molecular weight of 244.33 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,3-dimethylbutan-2-ylcarbamoyl(methyl)amino]butanoic acid is sourced from PubChem (CID 104829242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).