4-(2-methylpentan-3-ylcarbamoylamino)-4-oxobutanoic acid

C11H20N2O4 — CID 54954838

IUPAC4-(2-methylpentan-3-ylcarbamoylamino)-4-oxobutanoic acid
SMILESCCC(NC(=O)NC(=O)CCC(=O)O)C(C)C
InChIInChI=1S/C11H20N2O4/c1-4-8(7(2)3)12-11(17)13-9(14)5-6-10(15)16/h7-8H,4-6H2,1-3H3,(H,15,16)(H2,12,13,14,17)
InChIKeyOAQZJNNYNZYZKT-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.11
Rot. Bonds6

About 4-(2-methylpentan-3-ylcarbamoylamino)-4-oxobutanoic acid

4-(2-methylpentan-3-ylcarbamoylamino)-4-oxobutanoic acid (PubChem CID 54954838) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-(2-methylpentan-3-ylcarbamoylamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(2-methylpentan-3-ylcarbamoylamino)-4-oxobutanoic acid
PubChem CID54954838
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name4-(2-methylpentan-3-ylcarbamoylamino)-4-oxobutanoic acid
SMILESCCC(NC(=O)NC(=O)CCC(=O)O)C(C)C
InChIInChI=1S/C11H20N2O4/c1-4-8(7(2)3)12-11(17)13-9(14)5-6-10(15)16/h7-8H,4-6H2,1-3H3,(H,15,16)(H2,12,13,14,17)
InChIKeyOAQZJNNYNZYZKT-UHFFFAOYSA-N
XLogP1.11
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpentan-3-ylcarbamoylamino)-4-oxobutanoic acid?
The IUPAC name of 4-(2-methylpentan-3-ylcarbamoylamino)-4-oxobutanoic acid (CID 54954838) is 4-(2-methylpentan-3-ylcarbamoylamino)-4-oxobutanoic acid.
What is the SMILES notation for 4-(2-methylpentan-3-ylcarbamoylamino)-4-oxobutanoic acid?
The canonical SMILES for 4-(2-methylpentan-3-ylcarbamoylamino)-4-oxobutanoic acid is CCC(NC(=O)NC(=O)CCC(=O)O)C(C)C.
What is the InChIKey of 4-(2-methylpentan-3-ylcarbamoylamino)-4-oxobutanoic acid?
The InChIKey is OAQZJNNYNZYZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-4-8(7(2)3)12-11(17)13-9(14)5-6-10(15)16/h7-8H,4-6H2,1-3H3,(H,15,16)(H2,12,13,14,17).
What are the key properties of 4-(2-methylpentan-3-ylcarbamoylamino)-4-oxobutanoic acid?
4-(2-methylpentan-3-ylcarbamoylamino)-4-oxobutanoic acid has a molecular weight of 244.29 g/mol, XLogP of 1.11, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpentan-3-ylcarbamoylamino)-4-oxobutanoic acid is sourced from PubChem (CID 54954838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).