2-(dihydroxymethyl)pyrrolidine-1-carboximidamide

C6H13N3O2 — CID 20660162

IUPAC2-(dihydroxymethyl)pyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCCC1C(O)O
InChIInChI=1S/C6H13N3O2/c7-6(8)9-3-1-2-4(9)5(10)11/h4-5,10-11H,1-3H2,(H3,7,8)
InChIKeyXAMVLQIUOLVMJB-UHFFFAOYSA-N
MW159.19 g/mol
LogP-1.35
Rot. Bonds1

About 2-(dihydroxymethyl)pyrrolidine-1-carboximidamide

2-(dihydroxymethyl)pyrrolidine-1-carboximidamide (PubChem CID 20660162) has the molecular formula C6H13N3O2 and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-(dihydroxymethyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name2-(dihydroxymethyl)pyrrolidine-1-carboximidamide
PubChem CID20660162
Molecular FormulaC6H13N3O2
Molecular Weight159.19 g/mol
Exact Mass159.10
IUPAC Name2-(dihydroxymethyl)pyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCCC1C(O)O
InChIInChI=1S/C6H13N3O2/c7-6(8)9-3-1-2-4(9)5(10)11/h4-5,10-11H,1-3H2,(H3,7,8)
InChIKeyXAMVLQIUOLVMJB-UHFFFAOYSA-N
XLogP-1.35
TPSA93.57 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-1.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4,4-Difluoro-2-(hydroxymethyl)pyrrolidine-1-carboximidamide
CID 121204084
(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carboximidamide
CID 129503171
(2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carboximidamide
CID 129503172
2-(Hydroxymethyl)pyrrolidine-1-carboximidamide
CID 18435489
[(Z)-[amino-[2-(dihydroxymethyl)pyrrolidin-1-yl]methylidene]amino]phosphonic acid
CID 20660163
[[Amino-[2-(dihydroxymethyl)pyrrolidin-1-yl]methylidene]amino]phosphonic acid
CID 54373051
[1-(Aminomethyl)pyrrolidin-2-yl]methanediol
CID 57935623
[2-(Dihydroxymethyl)pyrrolidin-1-yl]methylazanium
CID 58592433
[(E)-[amino-[2-(dihydroxymethyl)pyrrolidin-1-yl]methylidene]amino]phosphonic acid
CID 59882589
(2S)-2-(hydroxymethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 142498457
2-(Dihydroxymethyl)pyrrolidine-1-carboximidamide;methane
CID 161314405
(S)-2-(Hydroxymethyl)pyrrolidine-1-carboximidamide
CID 12022521

Frequently Asked Questions

What is the IUPAC name of 2-(dihydroxymethyl)pyrrolidine-1-carboximidamide?
The IUPAC name of 2-(dihydroxymethyl)pyrrolidine-1-carboximidamide (CID 20660162) is 2-(dihydroxymethyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for 2-(dihydroxymethyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for 2-(dihydroxymethyl)pyrrolidine-1-carboximidamide is [H]/N=C(\N)N1CCCC1C(O)O.
What is the InChIKey of 2-(dihydroxymethyl)pyrrolidine-1-carboximidamide?
The InChIKey is XAMVLQIUOLVMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2/c7-6(8)9-3-1-2-4(9)5(10)11/h4-5,10-11H,1-3H2,(H3,7,8).
What are the key properties of 2-(dihydroxymethyl)pyrrolidine-1-carboximidamide?
2-(dihydroxymethyl)pyrrolidine-1-carboximidamide has a molecular weight of 159.19 g/mol, XLogP of -1.35, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dihydroxymethyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 20660162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).