2,2,3-trimethyl-3-[[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]butanoic acid

C14H27N3O4 — CID 65265526

IUPAC2,2,3-trimethyl-3-[[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]butanoic acid
SMILESCC(C)CNC(=O)NC(=O)CNC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C14H27N3O4/c1-9(2)7-15-12(21)17-10(18)8-16-14(5,6)13(3,4)11(19)20/h9,16H,7-8H2,1-6H3,(H,19,20)(H2,15,17,18,21)
InChIKeyYQAXPLTWZWSAFA-UHFFFAOYSA-N
MW301.39 g/mol
LogP0.95
Rot. Bonds7

About 2,2,3-trimethyl-3-[[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]butanoic acid

2,2,3-trimethyl-3-[[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]butanoic acid (PubChem CID 65265526) has the molecular formula C14H27N3O4 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-[[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]butanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-[[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]butanoic acid
PubChem CID65265526
Molecular FormulaC14H27N3O4
Molecular Weight301.39 g/mol
Exact Mass301.20
IUPAC Name2,2,3-trimethyl-3-[[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]butanoic acid
SMILESCC(C)CNC(=O)NC(=O)CNC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C14H27N3O4/c1-9(2)7-15-12(21)17-10(18)8-16-14(5,6)13(3,4)11(19)20/h9,16H,7-8H2,1-6H3,(H,19,20)(H2,15,17,18,21)
InChIKeyYQAXPLTWZWSAFA-UHFFFAOYSA-N
XLogP0.95
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-[[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]butanoic acid?
The IUPAC name of 2,2,3-trimethyl-3-[[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]butanoic acid (CID 65265526) is 2,2,3-trimethyl-3-[[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]butanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-[[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]butanoic acid?
The canonical SMILES for 2,2,3-trimethyl-3-[[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]butanoic acid is CC(C)CNC(=O)NC(=O)CNC(C)(C)C(C)(C)C(=O)O.
What is the InChIKey of 2,2,3-trimethyl-3-[[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]butanoic acid?
The InChIKey is YQAXPLTWZWSAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O4/c1-9(2)7-15-12(21)17-10(18)8-16-14(5,6)13(3,4)11(19)20/h9,16H,7-8H2,1-6H3,(H,19,20)(H2,15,17,18,21).
What are the key properties of 2,2,3-trimethyl-3-[[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]butanoic acid?
2,2,3-trimethyl-3-[[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]butanoic acid has a molecular weight of 301.39 g/mol, XLogP of 0.95, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-[[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]butanoic acid is sourced from PubChem (CID 65265526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).