(Z)-4-(cyclobutylcarbamoylamino)-2,3-dimethyl-4-oxobut-2-enoic acid

C11H16N2O4 — CID 55168507

IUPAC(Z)-4-(cyclobutylcarbamoylamino)-2,3-dimethyl-4-oxobut-2-enoic acid
SMILESC/C(C(=O)O)=C(\C)C(=O)NC(=O)NC1CCC1
InChIInChI=1S/C11H16N2O4/c1-6(7(2)10(15)16)9(14)13-11(17)12-8-4-3-5-8/h8H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14,17)/b7-6-
InChIKeyDYZMNRSIFFCQIT-SREVYHEPSA-N
MW240.26 g/mol
LogP0.79
Rot. Bonds3

About (Z)-4-(cyclobutylcarbamoylamino)-2,3-dimethyl-4-oxobut-2-enoic acid

(Z)-4-(cyclobutylcarbamoylamino)-2,3-dimethyl-4-oxobut-2-enoic acid (PubChem CID 55168507) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is (Z)-4-(cyclobutylcarbamoylamino)-2,3-dimethyl-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-(cyclobutylcarbamoylamino)-2,3-dimethyl-4-oxobut-2-enoic acid
PubChem CID55168507
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name(Z)-4-(cyclobutylcarbamoylamino)-2,3-dimethyl-4-oxobut-2-enoic acid
SMILESC/C(C(=O)O)=C(\C)C(=O)NC(=O)NC1CCC1
InChIInChI=1S/C11H16N2O4/c1-6(7(2)10(15)16)9(14)13-11(17)12-8-4-3-5-8/h8H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14,17)/b7-6-
InChIKeyDYZMNRSIFFCQIT-SREVYHEPSA-N
XLogP0.79
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-(cyclobutylcarbamoylamino)-2,3-dimethyl-4-oxobut-2-enoic acid?
The IUPAC name of (Z)-4-(cyclobutylcarbamoylamino)-2,3-dimethyl-4-oxobut-2-enoic acid (CID 55168507) is (Z)-4-(cyclobutylcarbamoylamino)-2,3-dimethyl-4-oxobut-2-enoic acid.
What is the SMILES notation for (Z)-4-(cyclobutylcarbamoylamino)-2,3-dimethyl-4-oxobut-2-enoic acid?
The canonical SMILES for (Z)-4-(cyclobutylcarbamoylamino)-2,3-dimethyl-4-oxobut-2-enoic acid is C/C(C(=O)O)=C(\C)C(=O)NC(=O)NC1CCC1.
What is the InChIKey of (Z)-4-(cyclobutylcarbamoylamino)-2,3-dimethyl-4-oxobut-2-enoic acid?
The InChIKey is DYZMNRSIFFCQIT-SREVYHEPSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-6(7(2)10(15)16)9(14)13-11(17)12-8-4-3-5-8/h8H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14,17)/b7-6-.
What are the key properties of (Z)-4-(cyclobutylcarbamoylamino)-2,3-dimethyl-4-oxobut-2-enoic acid?
(Z)-4-(cyclobutylcarbamoylamino)-2,3-dimethyl-4-oxobut-2-enoic acid has a molecular weight of 240.26 g/mol, XLogP of 0.79, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(cyclobutylcarbamoylamino)-2,3-dimethyl-4-oxobut-2-enoic acid is sourced from PubChem (CID 55168507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).