2,2,3-trimethyl-3-(2-methylpropylcarbamoylamino)butanoic acid

C12H24N2O3 — CID 65266119

IUPAC2,2,3-trimethyl-3-(2-methylpropylcarbamoylamino)butanoic acid
SMILESCC(C)CNC(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-8(2)7-13-10(17)14-12(5,6)11(3,4)9(15)16/h8H,7H2,1-6H3,(H,15,16)(H2,13,14,17)
InChIKeyBSCIXVCYAICTCR-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.83
Rot. Bonds5

About 2,2,3-trimethyl-3-(2-methylpropylcarbamoylamino)butanoic acid

2,2,3-trimethyl-3-(2-methylpropylcarbamoylamino)butanoic acid (PubChem CID 65266119) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-(2-methylpropylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-(2-methylpropylcarbamoylamino)butanoic acid
PubChem CID65266119
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2,2,3-trimethyl-3-(2-methylpropylcarbamoylamino)butanoic acid
SMILESCC(C)CNC(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-8(2)7-13-10(17)14-12(5,6)11(3,4)9(15)16/h8H,7H2,1-6H3,(H,15,16)(H2,13,14,17)
InChIKeyBSCIXVCYAICTCR-UHFFFAOYSA-N
XLogP1.83
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,3-trimethyl-3-[[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]butanoic acid
CID 65265526
2,2,3-trimethyl-3-(propan-2-ylcarbamoylamino)butanoic acid
CID 65266300
3-methyl-3-(2-methylpropylcarbamoylamino)butanoic acid
CID 64702187
3-(2-acetamidoethylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65266386
2,2,3-trimethyl-3-(4-propan-2-yloxybutylcarbamoylamino)butanoic acid
CID 106004455
3-(3-ethylpentan-2-ylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65265715
3-(hexylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65265326
3-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2,2,3-trimethylbutanoic acid
CID 82949384
3-[2-(diethylamino)ethylcarbamoylamino]-2,2,3-trimethylbutanoic acid
CID 65265934
3-(1-methoxypropan-2-ylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65266413
3-[4-(dimethylamino)butan-2-ylcarbamoylamino]-2,2,3-trimethylbutanoic acid
CID 65264235
2,2,3-trimethyl-3-(1,3-thiazol-4-ylmethylcarbamoylamino)butanoic acid
CID 65265568

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-(2-methylpropylcarbamoylamino)butanoic acid?
The IUPAC name of 2,2,3-trimethyl-3-(2-methylpropylcarbamoylamino)butanoic acid (CID 65266119) is 2,2,3-trimethyl-3-(2-methylpropylcarbamoylamino)butanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-(2-methylpropylcarbamoylamino)butanoic acid?
The canonical SMILES for 2,2,3-trimethyl-3-(2-methylpropylcarbamoylamino)butanoic acid is CC(C)CNC(=O)NC(C)(C)C(C)(C)C(=O)O.
What is the InChIKey of 2,2,3-trimethyl-3-(2-methylpropylcarbamoylamino)butanoic acid?
The InChIKey is BSCIXVCYAICTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-8(2)7-13-10(17)14-12(5,6)11(3,4)9(15)16/h8H,7H2,1-6H3,(H,15,16)(H2,13,14,17).
What are the key properties of 2,2,3-trimethyl-3-(2-methylpropylcarbamoylamino)butanoic acid?
2,2,3-trimethyl-3-(2-methylpropylcarbamoylamino)butanoic acid has a molecular weight of 244.33 g/mol, XLogP of 1.83, 5 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-(2-methylpropylcarbamoylamino)butanoic acid is sourced from PubChem (CID 65266119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).