(3S,5S)-5-(aminomethyl)pyrrolidin-3-ol

C5H12N2O — CID 97030917

IUPAC(3S,5S)-5-(aminomethyl)pyrrolidin-3-ol
SMILESNC[C@@H]1C[C@H](O)CN1
InChIInChI=1S/C5H12N2O/c6-2-4-1-5(8)3-7-4/h4-5,7-8H,1-3,6H2/t4-,5-/m0/s1
InChIKeyVPKJBJVGUAQJOS-WHFBIAKZSA-N
MW116.16 g/mol
LogP-1.33
Rot. Bonds1

About (3S,5S)-5-(aminomethyl)pyrrolidin-3-ol

(3S,5S)-5-(aminomethyl)pyrrolidin-3-ol (PubChem CID 97030917) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is (3S,5S)-5-(aminomethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,5S)-5-(aminomethyl)pyrrolidin-3-ol
PubChem CID97030917
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name(3S,5S)-5-(aminomethyl)pyrrolidin-3-ol
SMILESNC[C@@H]1C[C@H](O)CN1
InChIInChI=1S/C5H12N2O/c6-2-4-1-5(8)3-7-4/h4-5,7-8H,1-3,6H2/t4-,5-/m0/s1
InChIKeyVPKJBJVGUAQJOS-WHFBIAKZSA-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 (3S,5S)-5-(aminomethyl)pyrrolidin-3-ol?
The IUPAC name of (3S,5S)-5-(aminomethyl)pyrrolidin-3-ol (CID 97030917) is (3S,5S)-5-(aminomethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S,5S)-5-(aminomethyl)pyrrolidin-3-ol?
The canonical SMILES for (3S,5S)-5-(aminomethyl)pyrrolidin-3-ol is NC[C@@H]1C[C@H](O)CN1.
What is the InChIKey of (3S,5S)-5-(aminomethyl)pyrrolidin-3-ol?
The InChIKey is VPKJBJVGUAQJOS-WHFBIAKZSA-N. The full InChI is InChI=1S/C5H12N2O/c6-2-4-1-5(8)3-7-4/h4-5,7-8H,1-3,6H2/t4-,5-/m0/s1.
What are the key properties of (3S,5S)-5-(aminomethyl)pyrrolidin-3-ol?
(3S,5S)-5-(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 (3S,5S)-5-(aminomethyl)pyrrolidin-3-ol is sourced from PubChem (CID 97030917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).