1-(N'-hydroxycarbamimidoyl)-N-[1-(oxolan-2-yl)ethyl]cyclopentane-1-carboxamide

C13H23N3O3 — CID 76919374

IUPAC1-(N'-hydroxycarbamimidoyl)-N-[1-(oxolan-2-yl)ethyl]cyclopentane-1-carboxamide
SMILESCC(NC(=O)C1(C(N)=NO)CCCC1)C1CCCO1
InChIInChI=1S/C13H23N3O3/c1-9(10-5-4-8-19-10)15-12(17)13(11(14)16-18)6-2-3-7-13/h9-10,18H,2-8H2,1H3,(H2,14,16)(H,15,17)
InChIKeyAJNLYLDPOITITC-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.98
Rot. Bonds4

About 1-(N'-hydroxycarbamimidoyl)-N-[1-(oxolan-2-yl)ethyl]cyclopentane-1-carboxamide

1-(N'-hydroxycarbamimidoyl)-N-[1-(oxolan-2-yl)ethyl]cyclopentane-1-carboxamide (PubChem CID 76919374) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-(N'-hydroxycarbamimidoyl)-N-[1-(oxolan-2-yl)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(N'-hydroxycarbamimidoyl)-N-[1-(oxolan-2-yl)ethyl]cyclopentane-1-carboxamide
PubChem CID76919374
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name1-(N'-hydroxycarbamimidoyl)-N-[1-(oxolan-2-yl)ethyl]cyclopentane-1-carboxamide
SMILESCC(NC(=O)C1(C(N)=NO)CCCC1)C1CCCO1
InChIInChI=1S/C13H23N3O3/c1-9(10-5-4-8-19-10)15-12(17)13(11(14)16-18)6-2-3-7-13/h9-10,18H,2-8H2,1H3,(H2,14,16)(H,15,17)
InChIKeyAJNLYLDPOITITC-UHFFFAOYSA-N
XLogP0.98
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.98
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-[1-(oxolan-2-yl)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(N'-hydroxycarbamimidoyl)-N-[1-(oxolan-2-yl)ethyl]cyclopentane-1-carboxamide (CID 76919374) is 1-(N'-hydroxycarbamimidoyl)-N-[1-(oxolan-2-yl)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(N'-hydroxycarbamimidoyl)-N-[1-(oxolan-2-yl)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(N'-hydroxycarbamimidoyl)-N-[1-(oxolan-2-yl)ethyl]cyclopentane-1-carboxamide is CC(NC(=O)C1(C(N)=NO)CCCC1)C1CCCO1.
What is the InChIKey of 1-(N'-hydroxycarbamimidoyl)-N-[1-(oxolan-2-yl)ethyl]cyclopentane-1-carboxamide?
The InChIKey is AJNLYLDPOITITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-9(10-5-4-8-19-10)15-12(17)13(11(14)16-18)6-2-3-7-13/h9-10,18H,2-8H2,1H3,(H2,14,16)(H,15,17).
What are the key properties of 1-(N'-hydroxycarbamimidoyl)-N-[1-(oxolan-2-yl)ethyl]cyclopentane-1-carboxamide?
1-(N'-hydroxycarbamimidoyl)-N-[1-(oxolan-2-yl)ethyl]cyclopentane-1-carboxamide has a molecular weight of 269.34 g/mol, XLogP of 0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N'-hydroxycarbamimidoyl)-N-[1-(oxolan-2-yl)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 76919374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).