[(3S,4R)-4-amino-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanol

C11H17N3O — CID 173262646

IUPAC[(3S,4R)-4-amino-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanol
SMILESN[C@H]1CN(Cc2ccccn2)C[C@@H]1CO
InChIInChI=1S/C11H17N3O/c12-11-7-14(5-9(11)8-15)6-10-3-1-2-4-13-10/h1-4,9,11,15H,5-8,12H2/t9-,11+/m1/s1
InChIKeyRSJLQHQHEFPEKC-KOLCDFICSA-N
MW207.28 g/mol
LogP-0.17
Rot. Bonds3

About [(3S,4R)-4-amino-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanol

[(3S,4R)-4-amino-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanol (PubChem CID 173262646) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is [(3S,4R)-4-amino-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,4R)-4-amino-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanol
PubChem CID173262646
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name[(3S,4R)-4-amino-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanol
SMILESN[C@H]1CN(Cc2ccccn2)C[C@@H]1CO
InChIInChI=1S/C11H17N3O/c12-11-7-14(5-9(11)8-15)6-10-3-1-2-4-13-10/h1-4,9,11,15H,5-8,12H2/t9-,11+/m1/s1
InChIKeyRSJLQHQHEFPEKC-KOLCDFICSA-N
XLogP-0.17
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(pyridin-2-ylmethyl)pyrrolidine-3,4-diol
CID 106672943
(3aS,6aR)-5-(pyridin-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 96640188
(3aS,6aR)-2-(pyridin-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 156899177
(3S)-1-(pyridin-2-ylmethyl)piperidin-3-amine
CID 39221497
[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanol;hydrochloride
CID 167311617
1-[(3R,4S)-4-hydroxy-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134705370
5-cyclopropyl-2-(pyridin-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 121185554
methanamine;1-(pyridin-2-ylmethyl)piperazine
CID 142253020
(3S,4R)-1-[(5-ethyl-2-pyridinyl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol
CID 134699277
piperazine;1-(pyridin-2-ylmethyl)piperazine
CID 174820345
(3aR,6aS)-N,N-dimethyl-2-(pyridin-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 97376937
1-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80552735

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-4-amino-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3S,4R)-4-amino-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanol (CID 173262646) is [(3S,4R)-4-amino-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3S,4R)-4-amino-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3S,4R)-4-amino-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanol is N[C@H]1CN(Cc2ccccn2)C[C@@H]1CO.
What is the InChIKey of [(3S,4R)-4-amino-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanol?
The InChIKey is RSJLQHQHEFPEKC-KOLCDFICSA-N. The full InChI is InChI=1S/C11H17N3O/c12-11-7-14(5-9(11)8-15)6-10-3-1-2-4-13-10/h1-4,9,11,15H,5-8,12H2/t9-,11+/m1/s1.
What are the key properties of [(3S,4R)-4-amino-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanol?
[(3S,4R)-4-amino-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanol has a molecular weight of 207.28 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-4-amino-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 173262646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).