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

C12H22N4O3 — CID 55037866

IUPACN-ethyl-1-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide
SMILESCCN(CC(=O)NC)C(=O)C1(/C(N)=N/O)CCCC1
InChIInChI=1S/C12H22N4O3/c1-3-16(8-9(17)14-2)11(18)12(10(13)15-19)6-4-5-7-12/h19H,3-8H2,1-2H3,(H2,13,15)(H,14,17)
InChIKeyZQBRXHKUGFIMOB-UHFFFAOYSA-N
MW270.33 g/mol
LogP-0.11
Rot. Bonds5

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

N-ethyl-1-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide (PubChem CID 55037866) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-ethyl-1-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide
PubChem CID55037866
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC NameN-ethyl-1-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide
SMILESCCN(CC(=O)NC)C(=O)C1(/C(N)=N/O)CCCC1
InChIInChI=1S/C12H22N4O3/c1-3-16(8-9(17)14-2)11(18)12(10(13)15-19)6-4-5-7-12/h19H,3-8H2,1-2H3,(H2,13,15)(H,14,17)
InChIKeyZQBRXHKUGFIMOB-UHFFFAOYSA-N
XLogP-0.11
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-0.11
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 N-ethyl-1-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide?
The IUPAC name of N-ethyl-1-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide (CID 55037866) is N-ethyl-1-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for N-ethyl-1-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide?
The canonical SMILES for N-ethyl-1-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide is CCN(CC(=O)NC)C(=O)C1(/C(N)=N/O)CCCC1.
What is the InChIKey of N-ethyl-1-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide?
The InChIKey is ZQBRXHKUGFIMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-3-16(8-9(17)14-2)11(18)12(10(13)15-19)6-4-5-7-12/h19H,3-8H2,1-2H3,(H2,13,15)(H,14,17).
What are the key properties of N-ethyl-1-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide?
N-ethyl-1-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide has a molecular weight of 270.33 g/mol, XLogP of -0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 55037866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).