(3S)-N-[(R)-cyano-[(3R)-oxolan-3-yl]methyl]-1-cyclohexylpyrrolidine-3-carboxamide

C17H27N3O2 — CID 124841047

IUPAC(3S)-N-[(R)-cyano-[(3R)-oxolan-3-yl]methyl]-1-cyclohexylpyrrolidine-3-carboxamide
SMILESN#C[C@H](NC(=O)[C@H]1CCN(C2CCCCC2)C1)[C@H]1CCOC1
InChIInChI=1S/C17H27N3O2/c18-10-16(14-7-9-22-12-14)19-17(21)13-6-8-20(11-13)15-4-2-1-3-5-15/h13-16H,1-9,11-12H2,(H,19,21)/t13-,14-,16-/m0/s1
InChIKeyVLQIWXORBYFCDE-DZKIICNBSA-N
MW305.42 g/mol
LogP1.69
Rot. Bonds4

About (3S)-N-[(R)-cyano-[(3R)-oxolan-3-yl]methyl]-1-cyclohexylpyrrolidine-3-carboxamide

(3S)-N-[(R)-cyano-[(3R)-oxolan-3-yl]methyl]-1-cyclohexylpyrrolidine-3-carboxamide (PubChem CID 124841047) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is (3S)-N-[(R)-cyano-[(3R)-oxolan-3-yl]methyl]-1-cyclohexylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(R)-cyano-[(3R)-oxolan-3-yl]methyl]-1-cyclohexylpyrrolidine-3-carboxamide
PubChem CID124841047
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name(3S)-N-[(R)-cyano-[(3R)-oxolan-3-yl]methyl]-1-cyclohexylpyrrolidine-3-carboxamide
SMILESN#C[C@H](NC(=O)[C@H]1CCN(C2CCCCC2)C1)[C@H]1CCOC1
InChIInChI=1S/C17H27N3O2/c18-10-16(14-7-9-22-12-14)19-17(21)13-6-8-20(11-13)15-4-2-1-3-5-15/h13-16H,1-9,11-12H2,(H,19,21)/t13-,14-,16-/m0/s1
InChIKeyVLQIWXORBYFCDE-DZKIICNBSA-N
XLogP1.69
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(R)-cyano-[(3R)-oxolan-3-yl]methyl]-1-cyclohexylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[(R)-cyano-[(3R)-oxolan-3-yl]methyl]-1-cyclohexylpyrrolidine-3-carboxamide (CID 124841047) is (3S)-N-[(R)-cyano-[(3R)-oxolan-3-yl]methyl]-1-cyclohexylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(R)-cyano-[(3R)-oxolan-3-yl]methyl]-1-cyclohexylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(R)-cyano-[(3R)-oxolan-3-yl]methyl]-1-cyclohexylpyrrolidine-3-carboxamide is N#C[C@H](NC(=O)[C@H]1CCN(C2CCCCC2)C1)[C@H]1CCOC1.
What is the InChIKey of (3S)-N-[(R)-cyano-[(3R)-oxolan-3-yl]methyl]-1-cyclohexylpyrrolidine-3-carboxamide?
The InChIKey is VLQIWXORBYFCDE-DZKIICNBSA-N. The full InChI is InChI=1S/C17H27N3O2/c18-10-16(14-7-9-22-12-14)19-17(21)13-6-8-20(11-13)15-4-2-1-3-5-15/h13-16H,1-9,11-12H2,(H,19,21)/t13-,14-,16-/m0/s1.
What are the key properties of (3S)-N-[(R)-cyano-[(3R)-oxolan-3-yl]methyl]-1-cyclohexylpyrrolidine-3-carboxamide?
(3S)-N-[(R)-cyano-[(3R)-oxolan-3-yl]methyl]-1-cyclohexylpyrrolidine-3-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(R)-cyano-[(3R)-oxolan-3-yl]methyl]-1-cyclohexylpyrrolidine-3-carboxamide is sourced from PubChem (CID 124841047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).