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

C11H20N2O4 — CID 43372477

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

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

4-(4-methylpentan-2-ylcarbamoylamino)-4-oxobutanoic acid (PubChem CID 43372477) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-(4-methylpentan-2-ylcarbamoylamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(4-methylpentan-2-ylcarbamoylamino)-4-oxobutanoic acid
PubChem CID43372477
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name4-(4-methylpentan-2-ylcarbamoylamino)-4-oxobutanoic acid
SMILESCC(C)CC(C)NC(=O)NC(=O)CCC(=O)O
InChIInChI=1S/C11H20N2O4/c1-7(2)6-8(3)12-11(17)13-9(14)4-5-10(15)16/h7-8H,4-6H2,1-3H3,(H,15,16)(H2,12,13,14,17)
InChIKeyBGOYBYXVZKAWHA-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-(4-methylpentan-2-ylcarbamoylamino)-4-oxobutanoic acid?
The IUPAC name of 4-(4-methylpentan-2-ylcarbamoylamino)-4-oxobutanoic acid (CID 43372477) is 4-(4-methylpentan-2-ylcarbamoylamino)-4-oxobutanoic acid.
What is the SMILES notation for 4-(4-methylpentan-2-ylcarbamoylamino)-4-oxobutanoic acid?
The canonical SMILES for 4-(4-methylpentan-2-ylcarbamoylamino)-4-oxobutanoic acid is CC(C)CC(C)NC(=O)NC(=O)CCC(=O)O.
What is the InChIKey of 4-(4-methylpentan-2-ylcarbamoylamino)-4-oxobutanoic acid?
The InChIKey is BGOYBYXVZKAWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-7(2)6-8(3)12-11(17)13-9(14)4-5-10(15)16/h7-8H,4-6H2,1-3H3,(H,15,16)(H2,12,13,14,17).
What are the key properties of 4-(4-methylpentan-2-ylcarbamoylamino)-4-oxobutanoic acid?
4-(4-methylpentan-2-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-(4-methylpentan-2-ylcarbamoylamino)-4-oxobutanoic acid is sourced from PubChem (CID 43372477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).