2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-2-methylbutanoic acid

C13H26N2O3 — CID 79801986

IUPAC2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)N(C)C(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C13H26N2O3/c1-8-13(6,10(16)17)14-11(18)15(7)9(2)12(3,4)5/h9H,8H2,1-7H3,(H,14,18)(H,16,17)
InChIKeyPOCOUBHLJMMXGI-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.32
Rot. Bonds4

About 2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-2-methylbutanoic acid

2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-2-methylbutanoic acid (PubChem CID 79801986) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-2-methylbutanoic acid
PubChem CID79801986
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)N(C)C(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C13H26N2O3/c1-8-13(6,10(16)17)14-11(18)15(7)9(2)12(3,4)5/h9H,8H2,1-7H3,(H,14,18)(H,16,17)
InChIKeyPOCOUBHLJMMXGI-UHFFFAOYSA-N
XLogP2.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-hydroxypropyl(methyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79800841
2-methyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid
CID 79800950
1-(3,3-dimethylbutan-2-yl)-1,3-dimethylurea
CID 115578826
2-[[cyclopropyl(methyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79801490
2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]hexanoic acid
CID 55009895
ethyl 2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]acetate
CID 54948885
1-[(2S)-3,3-dimethylbutan-2-yl]-1-methyl-3-prop-2-enylurea
CID 95351070
2-(dibutylcarbamoylamino)-2-methylbutanoic acid
CID 79798187
2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79800793
(2S)-2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-3-methylpentanoic acid
CID 55009602
2-methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 79801521
(2S)-2-acetamido-2-methylbutanoic acid
CID 71355971

Frequently Asked Questions

What is the IUPAC name of 2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-2-methylbutanoic acid?
The IUPAC name of 2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-2-methylbutanoic acid (CID 79801986) is 2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-2-methylbutanoic acid is CCC(C)(NC(=O)N(C)C(C)C(C)(C)C)C(=O)O.
What is the InChIKey of 2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-2-methylbutanoic acid?
The InChIKey is POCOUBHLJMMXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-8-13(6,10(16)17)14-11(18)15(7)9(2)12(3,4)5/h9H,8H2,1-7H3,(H,14,18)(H,16,17).
What are the key properties of 2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-2-methylbutanoic acid?
2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-2-methylbutanoic acid has a molecular weight of 258.36 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-2-methylbutanoic acid is sourced from PubChem (CID 79801986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).