(2S,3S)-1-(cyclopropylmethyl)-2-(pyridin-4-ylmethyl)pyrrolidin-3-ol

C14H20N2O — CID 97384274

IUPAC(2S,3S)-1-(cyclopropylmethyl)-2-(pyridin-4-ylmethyl)pyrrolidin-3-ol
SMILESO[C@H]1CCN(CC2CC2)[C@H]1Cc1ccncc1
InChIInChI=1S/C14H20N2O/c17-14-5-8-16(10-12-1-2-12)13(14)9-11-3-6-15-7-4-11/h3-4,6-7,12-14,17H,1-2,5,8-10H2/t13-,14-/m0/s1
InChIKeyVUAWWDKRKCRBQS-KBPBESRZSA-N
MW232.33 g/mol
LogP1.47
Rot. Bonds4

About (2S,3S)-1-(cyclopropylmethyl)-2-(pyridin-4-ylmethyl)pyrrolidin-3-ol

(2S,3S)-1-(cyclopropylmethyl)-2-(pyridin-4-ylmethyl)pyrrolidin-3-ol (PubChem CID 97384274) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (2S,3S)-1-(cyclopropylmethyl)-2-(pyridin-4-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(2S,3S)-1-(cyclopropylmethyl)-2-(pyridin-4-ylmethyl)pyrrolidin-3-ol
PubChem CID97384274
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(2S,3S)-1-(cyclopropylmethyl)-2-(pyridin-4-ylmethyl)pyrrolidin-3-ol
SMILESO[C@H]1CCN(CC2CC2)[C@H]1Cc1ccncc1
InChIInChI=1S/C14H20N2O/c17-14-5-8-16(10-12-1-2-12)13(14)9-11-3-6-15-7-4-11/h3-4,6-7,12-14,17H,1-2,5,8-10H2/t13-,14-/m0/s1
InChIKeyVUAWWDKRKCRBQS-KBPBESRZSA-N
XLogP1.47
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1-(cyclopropylmethyl)-2-(pyridin-4-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of (2S,3S)-1-(cyclopropylmethyl)-2-(pyridin-4-ylmethyl)pyrrolidin-3-ol (CID 97384274) is (2S,3S)-1-(cyclopropylmethyl)-2-(pyridin-4-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for (2S,3S)-1-(cyclopropylmethyl)-2-(pyridin-4-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for (2S,3S)-1-(cyclopropylmethyl)-2-(pyridin-4-ylmethyl)pyrrolidin-3-ol is O[C@H]1CCN(CC2CC2)[C@H]1Cc1ccncc1.
What is the InChIKey of (2S,3S)-1-(cyclopropylmethyl)-2-(pyridin-4-ylmethyl)pyrrolidin-3-ol?
The InChIKey is VUAWWDKRKCRBQS-KBPBESRZSA-N. The full InChI is InChI=1S/C14H20N2O/c17-14-5-8-16(10-12-1-2-12)13(14)9-11-3-6-15-7-4-11/h3-4,6-7,12-14,17H,1-2,5,8-10H2/t13-,14-/m0/s1.
What are the key properties of (2S,3S)-1-(cyclopropylmethyl)-2-(pyridin-4-ylmethyl)pyrrolidin-3-ol?
(2S,3S)-1-(cyclopropylmethyl)-2-(pyridin-4-ylmethyl)pyrrolidin-3-ol has a molecular weight of 232.33 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1-(cyclopropylmethyl)-2-(pyridin-4-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 97384274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).