2-methyl-4-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]butanoic acid

C12H24N2O3 — CID 80541149

IUPAC2-methyl-4-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]butanoic acid
SMILESCCC(C)(C)N(C)C(=O)NCCC(C)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-6-12(3,4)14(5)11(17)13-8-7-9(2)10(15)16/h9H,6-8H2,1-5H3,(H,13,17)(H,15,16)
InChIKeyNCAPJXAJUFUJAC-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.93
Rot. Bonds6

About 2-methyl-4-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]butanoic acid

2-methyl-4-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]butanoic acid (PubChem CID 80541149) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-methyl-4-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name2-methyl-4-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]butanoic acid
PubChem CID80541149
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-methyl-4-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]butanoic acid
SMILESCCC(C)(C)N(C)C(=O)NCCC(C)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-6-12(3,4)14(5)11(17)13-8-7-9(2)10(15)16/h9H,6-8H2,1-5H3,(H,13,17)(H,15,16)
InChIKeyNCAPJXAJUFUJAC-UHFFFAOYSA-N
XLogP1.93
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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

6-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]hexanoic acid
CID 63960493
2-methyl-4-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]butanoic acid
CID 106917283
4-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-methylbutanoic acid
CID 80541817
4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-2-methylbutanoic acid
CID 80541128
2-methyl-4-[[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]butanoic acid
CID 112662769
4-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]-2-methylbutanoic acid
CID 80541797
3-[ethyl(3-methylbutylcarbamoyl)amino]-2-methylpropanoic acid
CID 62852278
5-[[butan-2-yl(methyl)carbamoyl]amino]-2-methylpentanoic acid
CID 104686220
4-[2-(dimethylamino)propylcarbamoylamino]-2-methylbutanoic acid
CID 80541974
4-[[butyl(ethyl)carbamoyl]amino]-2-methylbutanoic acid
CID 80540676
2-methyl-4-[[pentyl(propan-2-yl)carbamoyl]amino]butanoic acid
CID 80541783
4-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]-2-methylbutanoic acid
CID 80540539

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]butanoic acid?
The IUPAC name of 2-methyl-4-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]butanoic acid (CID 80541149) is 2-methyl-4-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for 2-methyl-4-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]butanoic acid?
The canonical SMILES for 2-methyl-4-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]butanoic acid is CCC(C)(C)N(C)C(=O)NCCC(C)C(=O)O.
What is the InChIKey of 2-methyl-4-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]butanoic acid?
The InChIKey is NCAPJXAJUFUJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-6-12(3,4)14(5)11(17)13-8-7-9(2)10(15)16/h9H,6-8H2,1-5H3,(H,13,17)(H,15,16).
What are the key properties of 2-methyl-4-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]butanoic acid?
2-methyl-4-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]butanoic acid has a molecular weight of 244.33 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 80541149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).