(2R,4R)-2-cyclohexyl-N-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-4-hydroxypyrrolidine-1-carboxamide

C19H32N2O3 — CID 99775456

IUPAC(2R,4R)-2-cyclohexyl-N-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-4-hydroxypyrrolidine-1-carboxamide
SMILESCC1(C)[C@H](NC(=O)N2C[C@H](O)C[C@@H]2C2CCCCC2)[C@@H]2CCO[C@@H]21
InChIInChI=1S/C19H32N2O3/c1-19(2)16(14-8-9-24-17(14)19)20-18(23)21-11-13(22)10-15(21)12-6-4-3-5-7-12/h12-17,22H,3-11H2,1-2H3,(H,20,23)/t13-,14+,15-,16-,17+/m1/s1
InChIKeySDQJVUYSLURMGK-JJTUDDRGSA-N
MW336.48 g/mol
LogP2.53
Rot. Bonds2

About (2R,4R)-2-cyclohexyl-N-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-4-hydroxypyrrolidine-1-carboxamide

(2R,4R)-2-cyclohexyl-N-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-4-hydroxypyrrolidine-1-carboxamide (PubChem CID 99775456) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is (2R,4R)-2-cyclohexyl-N-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-4-hydroxypyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R,4R)-2-cyclohexyl-N-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-4-hydroxypyrrolidine-1-carboxamide
PubChem CID99775456
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC Name(2R,4R)-2-cyclohexyl-N-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-4-hydroxypyrrolidine-1-carboxamide
SMILESCC1(C)[C@H](NC(=O)N2C[C@H](O)C[C@@H]2C2CCCCC2)[C@@H]2CCO[C@@H]21
InChIInChI=1S/C19H32N2O3/c1-19(2)16(14-8-9-24-17(14)19)20-18(23)21-11-13(22)10-15(21)12-6-4-3-5-7-12/h12-17,22H,3-11H2,1-2H3,(H,20,23)/t13-,14+,15-,16-,17+/m1/s1
InChIKeySDQJVUYSLURMGK-JJTUDDRGSA-N
XLogP2.53
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R,4R)-2-cyclohexyl-N-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-4-hydroxypyrrolidine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-cyclohexyl-N-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-4-hydroxypyrrolidine-1-carboxamide?
The IUPAC name of (2R,4R)-2-cyclohexyl-N-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-4-hydroxypyrrolidine-1-carboxamide (CID 99775456) is (2R,4R)-2-cyclohexyl-N-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-4-hydroxypyrrolidine-1-carboxamide.
What is the SMILES notation for (2R,4R)-2-cyclohexyl-N-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-4-hydroxypyrrolidine-1-carboxamide?
The canonical SMILES for (2R,4R)-2-cyclohexyl-N-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-4-hydroxypyrrolidine-1-carboxamide is CC1(C)[C@H](NC(=O)N2C[C@H](O)C[C@@H]2C2CCCCC2)[C@@H]2CCO[C@@H]21.
What is the InChIKey of (2R,4R)-2-cyclohexyl-N-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-4-hydroxypyrrolidine-1-carboxamide?
The InChIKey is SDQJVUYSLURMGK-JJTUDDRGSA-N. The full InChI is InChI=1S/C19H32N2O3/c1-19(2)16(14-8-9-24-17(14)19)20-18(23)21-11-13(22)10-15(21)12-6-4-3-5-7-12/h12-17,22H,3-11H2,1-2H3,(H,20,23)/t13-,14+,15-,16-,17+/m1/s1.
What are the key properties of (2R,4R)-2-cyclohexyl-N-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-4-hydroxypyrrolidine-1-carboxamide?
(2R,4R)-2-cyclohexyl-N-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-4-hydroxypyrrolidine-1-carboxamide has a molecular weight of 336.48 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-cyclohexyl-N-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-4-hydroxypyrrolidine-1-carboxamide is sourced from PubChem (CID 99775456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).