(2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide

C11H15N3O2 — CID 97470541

IUPAC(2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
SMILESNC(=O)N1CC[C@H](O)[C@@H]1Cc1cccnc1
InChIInChI=1S/C11H15N3O2/c12-11(16)14-5-3-10(15)9(14)6-8-2-1-4-13-7-8/h1-2,4,7,9-10,15H,3,5-6H2,(H2,12,16)/t9-,10-/m0/s1
InChIKeyANSYAMCQUHSKNP-UWVGGRQHSA-N
MW221.26 g/mol
LogP0.14
Rot. Bonds2

About (2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide

(2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 97470541) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is (2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID97470541
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name(2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
SMILESNC(=O)N1CC[C@H](O)[C@@H]1Cc1cccnc1
InChIInChI=1S/C11H15N3O2/c12-11(16)14-5-3-10(15)9(14)6-8-2-1-4-13-7-8/h1-2,4,7,9-10,15H,3,5-6H2,(H2,12,16)/t9-,10-/m0/s1
InChIKeyANSYAMCQUHSKNP-UWVGGRQHSA-N
XLogP0.14
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide (CID 97470541) is (2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide is NC(=O)N1CC[C@H](O)[C@@H]1Cc1cccnc1.
What is the InChIKey of (2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is ANSYAMCQUHSKNP-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H15N3O2/c12-11(16)14-5-3-10(15)9(14)6-8-2-1-4-13-7-8/h1-2,4,7,9-10,15H,3,5-6H2,(H2,12,16)/t9-,10-/m0/s1.
What are the key properties of (2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide?
(2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 221.26 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 97470541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).