2-(3,3-dimethylbutylcarbamoylamino)-2-methylpropanoic acid

C11H22N2O3 — CID 61481256

IUPAC2-(3,3-dimethylbutylcarbamoylamino)-2-methylpropanoic acid
SMILESCC(C)(C)CCNC(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-10(2,3)6-7-12-9(16)13-11(4,5)8(14)15/h6-7H2,1-5H3,(H,14,15)(H2,12,13,16)
InChIKeyYAIQYIIMBRHOAE-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.59
Rot. Bonds4

About 2-(3,3-dimethylbutylcarbamoylamino)-2-methylpropanoic acid

2-(3,3-dimethylbutylcarbamoylamino)-2-methylpropanoic acid (PubChem CID 61481256) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(3,3-dimethylbutylcarbamoylamino)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(3,3-dimethylbutylcarbamoylamino)-2-methylpropanoic acid
PubChem CID61481256
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-(3,3-dimethylbutylcarbamoylamino)-2-methylpropanoic acid
SMILESCC(C)(C)CCNC(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-10(2,3)6-7-12-9(16)13-11(4,5)8(14)15/h6-7H2,1-5H3,(H,14,15)(H2,12,13,16)
InChIKeyYAIQYIIMBRHOAE-UHFFFAOYSA-N
XLogP1.59
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,2-dimethylpropylcarbamoylamino)-2-methylpropanoic acid
CID 61266743
2-methyl-2-(pentylcarbamoylamino)propanoic acid
CID 18070358
2-[2-(dimethylamino)ethylcarbamoylamino]-2-methylpropanoic acid
CID 16784119
2-methyl-2-(2-methylprop-2-enylcarbamoylamino)propanoic acid
CID 24693363
2-methyl-2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]propanoic acid
CID 62635858
2-methyl-2-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid
CID 61267137
2-[3-(cyclopropylmethoxy)propylcarbamoylamino]-2-methylpropanoic acid
CID 113363068
4-(3,3-dimethylbutylcarbamoylamino)-2-hydroxybutanoic acid
CID 107841235
4-(tert-butylcarbamoylamino)butanoic acid
CID 2185486
3-methyl-3-(3,3,3-trifluoropropylcarbamoylamino)butanoic acid
CID 64701489
2-[(2-ethoxy-2-methylpropyl)carbamoylamino]-2-methylpropanoic acid
CID 114943610
2-methyl-2-[(2-methylcyclopropyl)methylcarbamoylamino]propanoic acid
CID 103995921

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutylcarbamoylamino)-2-methylpropanoic acid?
The IUPAC name of 2-(3,3-dimethylbutylcarbamoylamino)-2-methylpropanoic acid (CID 61481256) is 2-(3,3-dimethylbutylcarbamoylamino)-2-methylpropanoic acid.
What is the SMILES notation for 2-(3,3-dimethylbutylcarbamoylamino)-2-methylpropanoic acid?
The canonical SMILES for 2-(3,3-dimethylbutylcarbamoylamino)-2-methylpropanoic acid is CC(C)(C)CCNC(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-(3,3-dimethylbutylcarbamoylamino)-2-methylpropanoic acid?
The InChIKey is YAIQYIIMBRHOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-10(2,3)6-7-12-9(16)13-11(4,5)8(14)15/h6-7H2,1-5H3,(H,14,15)(H2,12,13,16).
What are the key properties of 2-(3,3-dimethylbutylcarbamoylamino)-2-methylpropanoic acid?
2-(3,3-dimethylbutylcarbamoylamino)-2-methylpropanoic acid has a molecular weight of 230.31 g/mol, XLogP of 1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutylcarbamoylamino)-2-methylpropanoic acid is sourced from PubChem (CID 61481256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).