1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide

C11H20N4O3 — CID 55037682

IUPAC1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide
SMILESCNC(=O)CN(C)C(=O)C1(/C(N)=N/O)CCCC1
InChIInChI=1S/C11H20N4O3/c1-13-8(16)7-15(2)10(17)11(9(12)14-18)5-3-4-6-11/h18H,3-7H2,1-2H3,(H2,12,14)(H,13,16)
InChIKeyCOCNYFRFHYTUJX-UHFFFAOYSA-N
MW256.31 g/mol
LogP-0.50
Rot. Bonds4

About 1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide

1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide (PubChem CID 55037682) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide
PubChem CID55037682
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC Name1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide
SMILESCNC(=O)CN(C)C(=O)C1(/C(N)=N/O)CCCC1
InChIInChI=1S/C11H20N4O3/c1-13-8(16)7-15(2)10(17)11(9(12)14-18)5-3-4-6-11/h18H,3-7H2,1-2H3,(H2,12,14)(H,13,16)
InChIKeyCOCNYFRFHYTUJX-UHFFFAOYSA-N
XLogP-0.50
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide (CID 55037682) is 1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide is CNC(=O)CN(C)C(=O)C1(/C(N)=N/O)CCCC1.
What is the InChIKey of 1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide?
The InChIKey is COCNYFRFHYTUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3/c1-13-8(16)7-15(2)10(17)11(9(12)14-18)5-3-4-6-11/h18H,3-7H2,1-2H3,(H2,12,14)(H,13,16).
What are the key properties of 1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide?
1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide has a molecular weight of 256.31 g/mol, XLogP of -0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 55037682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).