N'-hydroxy-1-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboximidamide

C13H23N3O3 — CID 103942925

IUPACN'-hydroxy-1-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboximidamide
SMILESCC(O)C1CCN(C(=O)C2(C(N)=NO)CCCC2)C1
InChIInChI=1S/C13H23N3O3/c1-9(17)10-4-7-16(8-10)12(18)13(11(14)15-19)5-2-3-6-13/h9-10,17,19H,2-8H2,1H3,(H2,14,15)
InChIKeyZUQIDZLMKDCEDL-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.52
Rot. Bonds3

About N'-hydroxy-1-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboximidamide

N'-hydroxy-1-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboximidamide (PubChem CID 103942925) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is N'-hydroxy-1-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboximidamide
PubChem CID103942925
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC NameN'-hydroxy-1-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboximidamide
SMILESCC(O)C1CCN(C(=O)C2(C(N)=NO)CCCC2)C1
InChIInChI=1S/C13H23N3O3/c1-9(17)10-4-7-16(8-10)12(18)13(11(14)15-19)5-2-3-6-13/h9-10,17,19H,2-8H2,1H3,(H2,14,15)
InChIKeyZUQIDZLMKDCEDL-UHFFFAOYSA-N
XLogP0.52
TPSA99.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.52
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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Related Compounds

N'-hydroxy-1-(4-propan-2-ylazepane-1-carbonyl)cyclopentane-1-carboximidamide
CID 77024798
1-[3-(dimethylamino)pyrrolidine-1-carbonyl]-N'-hydroxycyclopentane-1-carboximidamide
CID 55159374
N'-hydroxy-1-(3-methylpiperidine-1-carbonyl)cyclopentane-1-carboximidamide
CID 76920228
N'-hydroxy-1-(3-methoxypyrrolidine-1-carbonyl)cyclohexane-1-carboximidamide
CID 103536725
N'-hydroxy-1-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboximidamide
CID 76920953
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-methylcyclohexyl)methanone
CID 105081761
N'-hydroxy-1-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboximidamide
CID 113356031
1-[1-(N'-hydroxycarbamimidoyl)cyclopentanecarbonyl]-N-methylpiperidine-3-carboxamide
CID 103197545
1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]cyclobutane-1-carbothioamide
CID 106835942
1-(3-ethoxypiperidine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide
CID 76921633
N'-hydroxy-1-(3-hydroxypyrrolidine-1-carbonyl)cyclopropane-1-carboximidamide
CID 80596829
1-(3-ethoxypiperidine-1-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide
CID 76921686

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboximidamide?
The IUPAC name of N'-hydroxy-1-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboximidamide (CID 103942925) is N'-hydroxy-1-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboximidamide?
The canonical SMILES for N'-hydroxy-1-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboximidamide is CC(O)C1CCN(C(=O)C2(C(N)=NO)CCCC2)C1.
What is the InChIKey of N'-hydroxy-1-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboximidamide?
The InChIKey is ZUQIDZLMKDCEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-9(17)10-4-7-16(8-10)12(18)13(11(14)15-19)5-2-3-6-13/h9-10,17,19H,2-8H2,1H3,(H2,14,15).
What are the key properties of N'-hydroxy-1-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboximidamide?
N'-hydroxy-1-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboximidamide has a molecular weight of 269.34 g/mol, XLogP of 0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboximidamide is sourced from PubChem (CID 103942925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).