1-(N'-hydroxycarbamimidoyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutane-1-carboxamide

C14H26N4O2 — CID 80596756

IUPAC1-(N'-hydroxycarbamimidoyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutane-1-carboxamide
SMILESCC(CNC(=O)C1(C(N)=NO)CCC1)CN1CCCC1
InChIInChI=1S/C14H26N4O2/c1-11(10-18-7-2-3-8-18)9-16-13(19)14(5-4-6-14)12(15)17-20/h11,20H,2-10H2,1H3,(H2,15,17)(H,16,19)
InChIKeyBVXPEEQUMKPFPU-UHFFFAOYSA-N
MW282.39 g/mol
LogP0.75
Rot. Bonds6

About 1-(N'-hydroxycarbamimidoyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutane-1-carboxamide

1-(N'-hydroxycarbamimidoyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutane-1-carboxamide (PubChem CID 80596756) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-(N'-hydroxycarbamimidoyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(N'-hydroxycarbamimidoyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutane-1-carboxamide
PubChem CID80596756
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name1-(N'-hydroxycarbamimidoyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutane-1-carboxamide
SMILESCC(CNC(=O)C1(C(N)=NO)CCC1)CN1CCCC1
InChIInChI=1S/C14H26N4O2/c1-11(10-18-7-2-3-8-18)9-16-13(19)14(5-4-6-14)12(15)17-20/h11,20H,2-10H2,1H3,(H2,15,17)(H,16,19)
InChIKeyBVXPEEQUMKPFPU-UHFFFAOYSA-N
XLogP0.75
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 50.75
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-(N'-hydroxycarbamimidoyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(N'-hydroxycarbamimidoyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutane-1-carboxamide (CID 80596756) is 1-(N'-hydroxycarbamimidoyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(N'-hydroxycarbamimidoyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(N'-hydroxycarbamimidoyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutane-1-carboxamide is CC(CNC(=O)C1(C(N)=NO)CCC1)CN1CCCC1.
What is the InChIKey of 1-(N'-hydroxycarbamimidoyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutane-1-carboxamide?
The InChIKey is BVXPEEQUMKPFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-11(10-18-7-2-3-8-18)9-16-13(19)14(5-4-6-14)12(15)17-20/h11,20H,2-10H2,1H3,(H2,15,17)(H,16,19).
What are the key properties of 1-(N'-hydroxycarbamimidoyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutane-1-carboxamide?
1-(N'-hydroxycarbamimidoyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutane-1-carboxamide has a molecular weight of 282.39 g/mol, XLogP of 0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N'-hydroxycarbamimidoyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 80596756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).