2,2,3-trimethyl-3-(propan-2-ylcarbamoylamino)butanoic acid

C11H22N2O3 — CID 65266300

IUPAC2,2,3-trimethyl-3-(propan-2-ylcarbamoylamino)butanoic acid
SMILESCC(C)NC(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-7(2)12-9(16)13-11(5,6)10(3,4)8(14)15/h7H,1-6H3,(H,14,15)(H2,12,13,16)
InChIKeyFAUAFYAVKKLTAV-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.58
Rot. Bonds4

About 2,2,3-trimethyl-3-(propan-2-ylcarbamoylamino)butanoic acid

2,2,3-trimethyl-3-(propan-2-ylcarbamoylamino)butanoic acid (PubChem CID 65266300) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-(propan-2-ylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-(propan-2-ylcarbamoylamino)butanoic acid
PubChem CID65266300
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2,2,3-trimethyl-3-(propan-2-ylcarbamoylamino)butanoic acid
SMILESCC(C)NC(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-7(2)12-9(16)13-11(5,6)10(3,4)8(14)15/h7H,1-6H3,(H,14,15)(H2,12,13,16)
InChIKeyFAUAFYAVKKLTAV-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-ethylpentan-2-ylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65265715
3-(1-methoxypropan-2-ylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65266413
3-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2,2,3-trimethylbutanoic acid
CID 82949384
3-[4-(dimethylamino)butan-2-ylcarbamoylamino]-2,2,3-trimethylbutanoic acid
CID 65264235
2,2,3-trimethyl-3-(2-methylpropylcarbamoylamino)butanoic acid
CID 65266119
2,2,3-trimethyl-3-[1-(oxolan-2-yl)ethylcarbamoylamino]butanoic acid
CID 65265903
2,2,3-trimethyl-3-(1-thiophen-2-ylethylcarbamoylamino)butanoic acid
CID 65265950
2,2,3-trimethyl-3-(octan-4-ylcarbamoylamino)butanoic acid
CID 106020545
2,2,3-trimethyl-3-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]butanoic acid
CID 65263700
2,2,3-trimethyl-3-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid
CID 65263810
2,2,3-trimethyl-3-[[3-oxo-3-(propan-2-ylamino)propyl]amino]butanoic acid
CID 65265112
3-(2-acetamidoethylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65266386

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-(propan-2-ylcarbamoylamino)butanoic acid?
The IUPAC name of 2,2,3-trimethyl-3-(propan-2-ylcarbamoylamino)butanoic acid (CID 65266300) is 2,2,3-trimethyl-3-(propan-2-ylcarbamoylamino)butanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-(propan-2-ylcarbamoylamino)butanoic acid?
The canonical SMILES for 2,2,3-trimethyl-3-(propan-2-ylcarbamoylamino)butanoic acid is CC(C)NC(=O)NC(C)(C)C(C)(C)C(=O)O.
What is the InChIKey of 2,2,3-trimethyl-3-(propan-2-ylcarbamoylamino)butanoic acid?
The InChIKey is FAUAFYAVKKLTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-7(2)12-9(16)13-11(5,6)10(3,4)8(14)15/h7H,1-6H3,(H,14,15)(H2,12,13,16).
What are the key properties of 2,2,3-trimethyl-3-(propan-2-ylcarbamoylamino)butanoic acid?
2,2,3-trimethyl-3-(propan-2-ylcarbamoylamino)butanoic acid has a molecular weight of 230.31 g/mol, XLogP of 1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-(propan-2-ylcarbamoylamino)butanoic acid is sourced from PubChem (CID 65266300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).