4-[1-(N'-hydroxycarbamimidoyl)cyclopentanecarbonyl]-N-methylmorpholine-3-carboxamide

C13H22N4O4 — CID 83104870

IUPAC4-[1-(N'-hydroxycarbamimidoyl)cyclopentanecarbonyl]-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1C(=O)C1(C(N)=NO)CCCC1
InChIInChI=1S/C13H22N4O4/c1-15-10(18)9-8-21-7-6-17(9)12(19)13(11(14)16-20)4-2-3-5-13/h9,20H,2-8H2,1H3,(H2,14,16)(H,15,18)
InChIKeyAHWUMSIBSIAVRG-UHFFFAOYSA-N
MW298.34 g/mol
LogP-0.73
Rot. Bonds3

About 4-[1-(N'-hydroxycarbamimidoyl)cyclopentanecarbonyl]-N-methylmorpholine-3-carboxamide

4-[1-(N'-hydroxycarbamimidoyl)cyclopentanecarbonyl]-N-methylmorpholine-3-carboxamide (PubChem CID 83104870) has the molecular formula C13H22N4O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is 4-[1-(N'-hydroxycarbamimidoyl)cyclopentanecarbonyl]-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[1-(N'-hydroxycarbamimidoyl)cyclopentanecarbonyl]-N-methylmorpholine-3-carboxamide
PubChem CID83104870
Molecular FormulaC13H22N4O4
Molecular Weight298.34 g/mol
Exact Mass298.16
IUPAC Name4-[1-(N'-hydroxycarbamimidoyl)cyclopentanecarbonyl]-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1C(=O)C1(C(N)=NO)CCCC1
InChIInChI=1S/C13H22N4O4/c1-15-10(18)9-8-21-7-6-17(9)12(19)13(11(14)16-20)4-2-3-5-13/h9,20H,2-8H2,1H3,(H2,14,16)(H,15,18)
InChIKeyAHWUMSIBSIAVRG-UHFFFAOYSA-N
XLogP-0.73
TPSA117.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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Related Compounds

N'-hydroxy-4-(3-methylmorpholine-4-carbonyl)oxane-4-carboximidamide
CID 76920695
methyl 3-(methylcarbamoyl)morpholine-4-carboxylate
CID 116657428
4-[2-[1-(aminomethyl)cyclohexyl]acetyl]-N-methylmorpholine-3-carboxamide
CID 104678605
1-[3-(ethylcarbamoyl)morpholine-4-carbonyl]cyclobutane-1-carboxylic acid
CID 83103065
1-[1-(N'-hydroxycarbamimidoyl)cyclopentanecarbonyl]-N-methylpiperidine-3-carboxamide
CID 103197545
1-[1-(N'-hydroxycarbamimidoyl)cyclohexanecarbonyl]piperidine-2-carboxamide
CID 76921367
4-[2-[1-(aminomethyl)cyclobutyl]acetyl]-N-methylmorpholine-3-carboxamide
CID 83096851
N-methyl-4-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]morpholine-3-carboxamide
CID 83099006
4-(2,2-dimethylpropanoyl)-N-methylmorpholine-3-carboxamide
CID 83105243
N-methyl-4-(3-oxobutanoyl)morpholine-3-carboxamide
CID 83097475
1-[1-(N'-hydroxycarbamimidoyl)cyclopropanecarbonyl]-N-methylpiperidine-4-carboxamide
CID 80596930
1-(2,3-dimethylpiperidine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide
CID 55039947

Frequently Asked Questions

What is the IUPAC name of 4-[1-(N'-hydroxycarbamimidoyl)cyclopentanecarbonyl]-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-[1-(N'-hydroxycarbamimidoyl)cyclopentanecarbonyl]-N-methylmorpholine-3-carboxamide (CID 83104870) is 4-[1-(N'-hydroxycarbamimidoyl)cyclopentanecarbonyl]-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[1-(N'-hydroxycarbamimidoyl)cyclopentanecarbonyl]-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-[1-(N'-hydroxycarbamimidoyl)cyclopentanecarbonyl]-N-methylmorpholine-3-carboxamide is CNC(=O)C1COCCN1C(=O)C1(C(N)=NO)CCCC1.
What is the InChIKey of 4-[1-(N'-hydroxycarbamimidoyl)cyclopentanecarbonyl]-N-methylmorpholine-3-carboxamide?
The InChIKey is AHWUMSIBSIAVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O4/c1-15-10(18)9-8-21-7-6-17(9)12(19)13(11(14)16-20)4-2-3-5-13/h9,20H,2-8H2,1H3,(H2,14,16)(H,15,18).
What are the key properties of 4-[1-(N'-hydroxycarbamimidoyl)cyclopentanecarbonyl]-N-methylmorpholine-3-carboxamide?
4-[1-(N'-hydroxycarbamimidoyl)cyclopentanecarbonyl]-N-methylmorpholine-3-carboxamide has a molecular weight of 298.34 g/mol, XLogP of -0.73, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(N'-hydroxycarbamimidoyl)cyclopentanecarbonyl]-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 83104870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).