2-(2,2-dimethylpropylcarbamoylamino)-2-methylpropanoic acid

C10H20N2O3 — CID 61266743

IUPAC2-(2,2-dimethylpropylcarbamoylamino)-2-methylpropanoic acid
SMILESCC(C)(C)CNC(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-9(2,3)6-11-8(15)12-10(4,5)7(13)14/h6H2,1-5H3,(H,13,14)(H2,11,12,15)
InChIKeyXNGSHCPAGTZAPP-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.19
Rot. Bonds3

About 2-(2,2-dimethylpropylcarbamoylamino)-2-methylpropanoic acid

2-(2,2-dimethylpropylcarbamoylamino)-2-methylpropanoic acid (PubChem CID 61266743) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-(2,2-dimethylpropylcarbamoylamino)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(2,2-dimethylpropylcarbamoylamino)-2-methylpropanoic acid
PubChem CID61266743
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-(2,2-dimethylpropylcarbamoylamino)-2-methylpropanoic acid
SMILESCC(C)(C)CNC(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-9(2,3)6-11-8(15)12-10(4,5)7(13)14/h6H2,1-5H3,(H,13,14)(H2,11,12,15)
InChIKeyXNGSHCPAGTZAPP-UHFFFAOYSA-N
XLogP1.19
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,3-dimethylbutylcarbamoylamino)-2-methylpropanoic acid
CID 61481256
2-[(2-ethoxy-2-methylpropyl)carbamoylamino]-2-methylpropanoic acid
CID 114943610
2-methyl-2-(2-methylprop-2-enylcarbamoylamino)propanoic acid
CID 24693363
2-methyl-2-(pentylcarbamoylamino)propanoic acid
CID 18070358
2-[2-(dimethylamino)ethylcarbamoylamino]-2-methylpropanoic acid
CID 16784119
2-methyl-2-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid
CID 61267137
2-methyl-2-[(2-methylcyclopropyl)methylcarbamoylamino]propanoic acid
CID 103995921
2-methyl-2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]propanoic acid
CID 62635858
2-hydroxy-2-methyl-3-(2,4,4-trimethylpentan-2-ylcarbamoylamino)propanoic acid
CID 66177435
1-(3-aminopropyl)-3-(2,2-dimethylpropyl)urea
CID 117235686
(2R)-2-(2,2-dimethylpropylcarbamoylamino)propanoic acid
CID 78971835
2-methyl-2-(oxan-4-ylmethylcarbamoylamino)propanoic acid
CID 62385844

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropylcarbamoylamino)-2-methylpropanoic acid?
The IUPAC name of 2-(2,2-dimethylpropylcarbamoylamino)-2-methylpropanoic acid (CID 61266743) is 2-(2,2-dimethylpropylcarbamoylamino)-2-methylpropanoic acid.
What is the SMILES notation for 2-(2,2-dimethylpropylcarbamoylamino)-2-methylpropanoic acid?
The canonical SMILES for 2-(2,2-dimethylpropylcarbamoylamino)-2-methylpropanoic acid is CC(C)(C)CNC(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-(2,2-dimethylpropylcarbamoylamino)-2-methylpropanoic acid?
The InChIKey is XNGSHCPAGTZAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-9(2,3)6-11-8(15)12-10(4,5)7(13)14/h6H2,1-5H3,(H,13,14)(H2,11,12,15).
What are the key properties of 2-(2,2-dimethylpropylcarbamoylamino)-2-methylpropanoic acid?
2-(2,2-dimethylpropylcarbamoylamino)-2-methylpropanoic acid has a molecular weight of 216.28 g/mol, XLogP of 1.19, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropylcarbamoylamino)-2-methylpropanoic acid is sourced from PubChem (CID 61266743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).