[2-(dihydroxymethyl)pyrrolidin-1-yl]methylazanium

C6H15N2O2+ — CID 58592433

IUPAC[2-(dihydroxymethyl)pyrrolidin-1-yl]methylazanium
SMILES[NH3+]CN1CCCC1C(O)O
InChIInChI=1S/C6H14N2O2/c7-4-8-3-1-2-5(8)6(9)10/h5-6,9-10H,1-4,7H2/p+1
InChIKeyBBTZSDGKZDTHLU-UHFFFAOYSA-O
MW147.20 g/mol
LogP-2.04
Rot. Bonds2

About [2-(dihydroxymethyl)pyrrolidin-1-yl]methylazanium

[2-(dihydroxymethyl)pyrrolidin-1-yl]methylazanium (PubChem CID 58592433) has the molecular formula C6H15N2O2+ and a molecular weight of 147.20 g/mol. Its IUPAC name is [2-(dihydroxymethyl)pyrrolidin-1-yl]methylazanium.

Molecular Properties

Compound Name[2-(dihydroxymethyl)pyrrolidin-1-yl]methylazanium
PubChem CID58592433
Molecular FormulaC6H15N2O2+
Molecular Weight147.20 g/mol
Exact Mass147.11
IUPAC Name[2-(dihydroxymethyl)pyrrolidin-1-yl]methylazanium
SMILES[NH3+]CN1CCCC1C(O)O
InChIInChI=1S/C6H14N2O2/c7-4-8-3-1-2-5(8)6(9)10/h5-6,9-10H,1-4,7H2/p+1
InChIKeyBBTZSDGKZDTHLU-UHFFFAOYSA-O
XLogP-2.04
TPSA71.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 5-2.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(S)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 14641509
(R)-2-(Hydroxymethyl)pyrrolidine-1-carboxamide
CID 45084222
[(2S)-pyrrolidin-2-yl]methanediol
CID 66545939
Hydroxy(pyrrolidin-1-ium-2-yl)methanolate
CID 58952939
5-Bishydroxymethylpyrrolidine
CID 58952940
Pyrrolidin-1-ium-2-ylmethanediol
CID 58957472
[(2R,4S)-1-(aminomethyl)-4-fluoropyrrolidin-2-yl]methanol
CID 174257314
hydroxy-[(2S)-pyrrolidin-2-yl]methanolate
CID 135040349
2-(Hydroxymethyl)pyrrolidine-1-carboxamide
CID 14641508
2-(Dihydroxymethyl)pyrrolidine-1-carboximidamide
CID 20660162
[2-(Dihydroxymethyl)pyrrolidin-1-yl]methylazanium
CID 57935622
[1-(Aminomethyl)pyrrolidin-2-yl]methanediol
CID 57935623

Frequently Asked Questions

What is the IUPAC name of [2-(dihydroxymethyl)pyrrolidin-1-yl]methylazanium?
The IUPAC name of [2-(dihydroxymethyl)pyrrolidin-1-yl]methylazanium (CID 58592433) is [2-(dihydroxymethyl)pyrrolidin-1-yl]methylazanium.
What is the SMILES notation for [2-(dihydroxymethyl)pyrrolidin-1-yl]methylazanium?
The canonical SMILES for [2-(dihydroxymethyl)pyrrolidin-1-yl]methylazanium is [NH3+]CN1CCCC1C(O)O.
What is the InChIKey of [2-(dihydroxymethyl)pyrrolidin-1-yl]methylazanium?
The InChIKey is BBTZSDGKZDTHLU-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H14N2O2/c7-4-8-3-1-2-5(8)6(9)10/h5-6,9-10H,1-4,7H2/p+1.
What are the key properties of [2-(dihydroxymethyl)pyrrolidin-1-yl]methylazanium?
[2-(dihydroxymethyl)pyrrolidin-1-yl]methylazanium has a molecular weight of 147.20 g/mol, XLogP of -2.04, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dihydroxymethyl)pyrrolidin-1-yl]methylazanium is sourced from PubChem (CID 58592433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).