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

C12H21N3O3 — CID 113356031

IUPACN'-hydroxy-1-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboximidamide
SMILESNC(=NO)C1(C(=O)N2CCC(CO)C2)CCCC1
InChIInChI=1S/C12H21N3O3/c13-10(14-18)12(4-1-2-5-12)11(17)15-6-3-9(7-15)8-16/h9,16,18H,1-8H2,(H2,13,14)
InChIKeyIKTKTWPGLZZQMP-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.13
Rot. Bonds3

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

N'-hydroxy-1-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboximidamide (PubChem CID 113356031) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is N'-hydroxy-1-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboximidamide
PubChem CID113356031
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC NameN'-hydroxy-1-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboximidamide
SMILESNC(=NO)C1(C(=O)N2CCC(CO)C2)CCCC1
InChIInChI=1S/C12H21N3O3/c13-10(14-18)12(4-1-2-5-12)11(17)15-6-3-9(7-15)8-16/h9,16,18H,1-8H2,(H2,13,14)
InChIKeyIKTKTWPGLZZQMP-UHFFFAOYSA-N
XLogP0.13
TPSA99.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.13
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'}

Analyze N'-hydroxy-1-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-hydroxy-1-[4-(hydroxymethyl)piperidine-1-carbonyl]cyclobutane-1-carboximidamide
CID 80590861
1-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-N'-hydroxycyclopentane-1-carboximidamide
CID 76921050
N'-hydroxy-1-(3-methoxypyrrolidine-1-carbonyl)cyclohexane-1-carboximidamide
CID 103536725
N'-hydroxy-1-[3-(methoxymethyl)piperidine-1-carbonyl]cyclohexane-1-carboximidamide
CID 106588198
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-(1-hydroxyethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboximidamide
CID 103942925
N'-hydroxy-1-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboximidamide
CID 76920953
N'-hydroxy-1-(3-hydroxypyrrolidine-1-carbonyl)cyclopropane-1-carboximidamide
CID 80596829
1-[3-(hydroxymethyl)piperidine-1-carbonyl]cyclobutane-1-carbothioamide
CID 80589779
1-(azocane-1-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide
CID 76919438
1-[1-(N'-hydroxycarbamimidoyl)cyclopentanecarbonyl]-N-methylpiperidine-3-carboxamide
CID 103197545

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboximidamide?
The IUPAC name of N'-hydroxy-1-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboximidamide (CID 113356031) is N'-hydroxy-1-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboximidamide?
The canonical SMILES for N'-hydroxy-1-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboximidamide is NC(=NO)C1(C(=O)N2CCC(CO)C2)CCCC1.
What is the InChIKey of N'-hydroxy-1-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboximidamide?
The InChIKey is IKTKTWPGLZZQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c13-10(14-18)12(4-1-2-5-12)11(17)15-6-3-9(7-15)8-16/h9,16,18H,1-8H2,(H2,13,14).
What are the key properties of N'-hydroxy-1-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboximidamide?
N'-hydroxy-1-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboximidamide has a molecular weight of 255.32 g/mol, XLogP of 0.13, 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-(hydroxymethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboximidamide is sourced from PubChem (CID 113356031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).