N'-amino-3-hydroxypyrrolidine-1-carboximidamide

C5H12N4O — CID 76612338

IUPACN'-amino-3-hydroxypyrrolidine-1-carboximidamide
SMILESNN=C(N)N1CCC(O)C1
InChIInChI=1S/C5H12N4O/c6-5(8-7)9-2-1-4(10)3-9/h4,10H,1-3,7H2,(H2,6,8)
InChIKeyJYAXYIBUYCYWQY-UHFFFAOYSA-N
MW144.18 g/mol
LogP-1.76
Rot. Bonds

About N'-amino-3-hydroxypyrrolidine-1-carboximidamide

N'-amino-3-hydroxypyrrolidine-1-carboximidamide (PubChem CID 76612338) has the molecular formula C5H12N4O and a molecular weight of 144.18 g/mol. Its IUPAC name is N'-amino-3-hydroxypyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-amino-3-hydroxypyrrolidine-1-carboximidamide
PubChem CID76612338
Molecular FormulaC5H12N4O
Molecular Weight144.18 g/mol
Exact Mass144.10
IUPAC NameN'-amino-3-hydroxypyrrolidine-1-carboximidamide
SMILESNN=C(N)N1CCC(O)C1
InChIInChI=1S/C5H12N4O/c6-5(8-7)9-2-1-4(10)3-9/h4,10H,1-3,7H2,(H2,6,8)
InChIKeyJYAXYIBUYCYWQY-UHFFFAOYSA-N
XLogP-1.76
TPSA87.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 5-1.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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'-amino-3-hydroxypyrrolidine-1-carboximidamide?
The IUPAC name of N'-amino-3-hydroxypyrrolidine-1-carboximidamide (CID 76612338) is N'-amino-3-hydroxypyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-amino-3-hydroxypyrrolidine-1-carboximidamide?
The canonical SMILES for N'-amino-3-hydroxypyrrolidine-1-carboximidamide is NN=C(N)N1CCC(O)C1.
What is the InChIKey of N'-amino-3-hydroxypyrrolidine-1-carboximidamide?
The InChIKey is JYAXYIBUYCYWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4O/c6-5(8-7)9-2-1-4(10)3-9/h4,10H,1-3,7H2,(H2,6,8).
What are the key properties of N'-amino-3-hydroxypyrrolidine-1-carboximidamide?
N'-amino-3-hydroxypyrrolidine-1-carboximidamide has a molecular weight of 144.18 g/mol, XLogP of -1.76, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-3-hydroxypyrrolidine-1-carboximidamide is sourced from PubChem (CID 76612338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).