2-hydroxypyrrolidine-1-carboximidamide

C5H11N3O — CID 45087378

IUPAC2-hydroxypyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCCC1O
InChIInChI=1S/C5H11N3O/c6-5(7)8-3-1-2-4(8)9/h4,9H,1-3H2,(H3,6,7)
InChIKeyTYEGCDAQOQXVAF-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.71
Rot. Bonds

About 2-hydroxypyrrolidine-1-carboximidamide

2-hydroxypyrrolidine-1-carboximidamide (PubChem CID 45087378) has the molecular formula C5H11N3O and a molecular weight of 129.16 g/mol. Its IUPAC name is 2-hydroxypyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name2-hydroxypyrrolidine-1-carboximidamide
PubChem CID45087378
Molecular FormulaC5H11N3O
Molecular Weight129.16 g/mol
Exact Mass129.09
IUPAC Name2-hydroxypyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCCC1O
InChIInChI=1S/C5H11N3O/c6-5(7)8-3-1-2-4(8)9/h4,9H,1-3H2,(H3,6,7)
InChIKeyTYEGCDAQOQXVAF-UHFFFAOYSA-N
XLogP-0.71
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-Hydroxypyrrolidine-1-carboximidamide
CID 18435488
1,1-Bis(4-hydroxybutyl)guanidine
CID 18681280
1-(4-Hydroxybutyl)-1-methylguanidine
CID 18681355
1-(Diaminomethyl)pyrrolidin-2-ol
CID 45087464
2-Methoxypyrrolidine-1-carboximidamide
CID 54018116
1-(Aminomethyl)pyrrolidin-2-ol
CID 67534063
1-Butyl-1-(4-hydroxybutyl)guanidine
CID 138104972
(3R)-3-hydroxypyrrolidine-1-carboximidamide
CID 86341400
(3S)-3-hydroxypyrrolidine-1-carboximidamide
CID 86341401
(2S)-2-hydroxypyrrolidine-1-carboximidamide
CID 93499575
(2R)-2-hydroxypyrrolidine-1-carboximidamide
CID 93499576
3-(Hydroxymethyl)pyrrolidine-1-carboximidamide
CID 121201281

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypyrrolidine-1-carboximidamide?
The IUPAC name of 2-hydroxypyrrolidine-1-carboximidamide (CID 45087378) is 2-hydroxypyrrolidine-1-carboximidamide.
What is the SMILES notation for 2-hydroxypyrrolidine-1-carboximidamide?
The canonical SMILES for 2-hydroxypyrrolidine-1-carboximidamide is [H]/N=C(\N)N1CCCC1O.
What is the InChIKey of 2-hydroxypyrrolidine-1-carboximidamide?
The InChIKey is TYEGCDAQOQXVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O/c6-5(7)8-3-1-2-4(8)9/h4,9H,1-3H2,(H3,6,7).
What are the key properties of 2-hydroxypyrrolidine-1-carboximidamide?
2-hydroxypyrrolidine-1-carboximidamide has a molecular weight of 129.16 g/mol, XLogP of -0.71, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypyrrolidine-1-carboximidamide is sourced from PubChem (CID 45087378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).