N'-hydroxy-1-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]cyclobutane-1-carboximidamide

C13H23N3O3 — CID 80596897

IUPACN'-hydroxy-1-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]cyclobutane-1-carboximidamide
SMILESNC(=NO)C1(C(=O)N2CCCC2CCCO)CCC1
InChIInChI=1S/C13H23N3O3/c14-11(15-19)13(6-3-7-13)12(18)16-8-1-4-10(16)5-2-9-17/h10,17,19H,1-9H2,(H2,14,15)
InChIKeyAWVBPVKSUZMZLD-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.67
Rot. Bonds5

About N'-hydroxy-1-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]cyclobutane-1-carboximidamide

N'-hydroxy-1-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]cyclobutane-1-carboximidamide (PubChem CID 80596897) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is N'-hydroxy-1-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]cyclobutane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]cyclobutane-1-carboximidamide
PubChem CID80596897
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC NameN'-hydroxy-1-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]cyclobutane-1-carboximidamide
SMILESNC(=NO)C1(C(=O)N2CCCC2CCCO)CCC1
InChIInChI=1S/C13H23N3O3/c14-11(15-19)13(6-3-7-13)12(18)16-8-1-4-10(16)5-2-9-17/h10,17,19H,1-9H2,(H2,14,15)
InChIKeyAWVBPVKSUZMZLD-UHFFFAOYSA-N
XLogP0.67
TPSA99.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.67
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-[2-(hydroxymethyl)piperidine-1-carbonyl]cyclobutane-1-carboximidamide
CID 80596778
1-(2-ethylpyrrolidine-1-carbonyl)-N'-hydroxycyclobutane-1-carboximidamide
CID 80596852
N'-hydroxy-1-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carboximidamide
CID 83046091
[1-(aminomethyl)cycloheptyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 62480619
1-(2,3-dimethylpiperidine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide
CID 55039947
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide
CID 77065268
N'-hydroxy-1-[4-(hydroxymethyl)piperidine-1-carbonyl]cyclobutane-1-carboximidamide
CID 80590861
2-(azetidin-3-yl)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone
CID 64609791
N'-hydroxy-1-(2-propan-2-ylpyrrolidine-1-carbonyl)cyclohexane-1-carboximidamide
CID 77099107
1-[1-(N'-hydroxycarbamimidoyl)cyclohexanecarbonyl]piperidine-2-carboxamide
CID 76921367
N'-hydroxy-1-(pyrrolidine-1-carbonyl)cyclobutane-1-carboximidamide
CID 80591499
1-[(2S)-2-(3-hydroxypropyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 167912648

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]cyclobutane-1-carboximidamide?
The IUPAC name of N'-hydroxy-1-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]cyclobutane-1-carboximidamide (CID 80596897) is N'-hydroxy-1-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]cyclobutane-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]cyclobutane-1-carboximidamide?
The canonical SMILES for N'-hydroxy-1-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]cyclobutane-1-carboximidamide is NC(=NO)C1(C(=O)N2CCCC2CCCO)CCC1.
What is the InChIKey of N'-hydroxy-1-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]cyclobutane-1-carboximidamide?
The InChIKey is AWVBPVKSUZMZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c14-11(15-19)13(6-3-7-13)12(18)16-8-1-4-10(16)5-2-9-17/h10,17,19H,1-9H2,(H2,14,15).
What are the key properties of N'-hydroxy-1-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]cyclobutane-1-carboximidamide?
N'-hydroxy-1-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]cyclobutane-1-carboximidamide has a molecular weight of 269.34 g/mol, XLogP of 0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]cyclobutane-1-carboximidamide is sourced from PubChem (CID 80596897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).