3-(aminomethyl)pyrrolidin-3-ol

C5H12N2O — CID 14578456

IUPAC3-(aminomethyl)pyrrolidin-3-ol
SMILESNCC1(O)CCNC1
InChIInChI=1S/C5H12N2O/c6-3-5(8)1-2-7-4-5/h7-8H,1-4,6H2
InChIKeyPBRGXRXUBXDADG-UHFFFAOYSA-N
MW116.16 g/mol
LogP-1.33
Rot. Bonds1

About 3-(aminomethyl)pyrrolidin-3-ol

3-(aminomethyl)pyrrolidin-3-ol (PubChem CID 14578456) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is 3-(aminomethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name3-(aminomethyl)pyrrolidin-3-ol
PubChem CID14578456
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name3-(aminomethyl)pyrrolidin-3-ol
SMILESNCC1(O)CCNC1
InChIInChI=1S/C5H12N2O/c6-3-5(8)1-2-7-4-5/h7-8H,1-4,6H2
InChIKeyPBRGXRXUBXDADG-UHFFFAOYSA-N
XLogP-1.33
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 5-1.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)pyrrolidin-3-ol?
The IUPAC name of 3-(aminomethyl)pyrrolidin-3-ol (CID 14578456) is 3-(aminomethyl)pyrrolidin-3-ol.
What is the SMILES notation for 3-(aminomethyl)pyrrolidin-3-ol?
The canonical SMILES for 3-(aminomethyl)pyrrolidin-3-ol is NCC1(O)CCNC1.
What is the InChIKey of 3-(aminomethyl)pyrrolidin-3-ol?
The InChIKey is PBRGXRXUBXDADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c6-3-5(8)1-2-7-4-5/h7-8H,1-4,6H2.
What are the key properties of 3-(aminomethyl)pyrrolidin-3-ol?
3-(aminomethyl)pyrrolidin-3-ol has a molecular weight of 116.16 g/mol, XLogP of -1.33, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)pyrrolidin-3-ol is sourced from PubChem (CID 14578456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).