N'-hydroxy-2-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]pentanimidamide

C11H21N3O3 — CID 113356030

IUPACN'-hydroxy-2-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]pentanimidamide
SMILESCCCC(C(=O)N1CCC(CO)C1)C(N)=NO
InChIInChI=1S/C11H21N3O3/c1-2-3-9(10(12)13-17)11(16)14-5-4-8(6-14)7-15/h8-9,15,17H,2-7H2,1H3,(H2,12,13)
InChIKeyTZPRZYMTEBNJSU-UHFFFAOYSA-N
MW243.31 g/mol
LogP-0.01
Rot. Bonds5

About N'-hydroxy-2-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]pentanimidamide

N'-hydroxy-2-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]pentanimidamide (PubChem CID 113356030) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is N'-hydroxy-2-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]pentanimidamide
PubChem CID113356030
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC NameN'-hydroxy-2-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]pentanimidamide
SMILESCCCC(C(=O)N1CCC(CO)C1)C(N)=NO
InChIInChI=1S/C11H21N3O3/c1-2-3-9(10(12)13-17)11(16)14-5-4-8(6-14)7-15/h8-9,15,17H,2-7H2,1H3,(H2,12,13)
InChIKeyTZPRZYMTEBNJSU-UHFFFAOYSA-N
XLogP-0.01
TPSA99.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.01
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 N'-hydroxy-2-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]pentanimidamide?
The IUPAC name of N'-hydroxy-2-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]pentanimidamide (CID 113356030) is N'-hydroxy-2-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]pentanimidamide.
What is the SMILES notation for N'-hydroxy-2-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]pentanimidamide?
The canonical SMILES for N'-hydroxy-2-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]pentanimidamide is CCCC(C(=O)N1CCC(CO)C1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]pentanimidamide?
The InChIKey is TZPRZYMTEBNJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-2-3-9(10(12)13-17)11(16)14-5-4-8(6-14)7-15/h8-9,15,17H,2-7H2,1H3,(H2,12,13).
What are the key properties of N'-hydroxy-2-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]pentanimidamide?
N'-hydroxy-2-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]pentanimidamide has a molecular weight of 243.31 g/mol, XLogP of -0.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]pentanimidamide is sourced from PubChem (CID 113356030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).