[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(2S)-1-(2-hydroxybenzoyl)pyrrolidin-2-yl]methanone

C18H24N2O4 — CID 94011491

IUPAC[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(2S)-1-(2-hydroxybenzoyl)pyrrolidin-2-yl]methanone
SMILESC[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)C[C@H](C)O1
InChIInChI=1S/C18H24N2O4/c1-12-10-19(11-13(2)24-12)18(23)15-7-5-9-20(15)17(22)14-6-3-4-8-16(14)21/h3-4,6,8,12-13,15,21H,5,7,9-11H2,1-2H3/t12-,13+,15-/m0/s1
InChIKeyRAJZBLIAGPBUDV-GUTXKFCHSA-N
MW332.40 g/mol
LogP1.63
Rot. Bonds2

About [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(2S)-1-(2-hydroxybenzoyl)pyrrolidin-2-yl]methanone

[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(2S)-1-(2-hydroxybenzoyl)pyrrolidin-2-yl]methanone (PubChem CID 94011491) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(2S)-1-(2-hydroxybenzoyl)pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(2S)-1-(2-hydroxybenzoyl)pyrrolidin-2-yl]methanone
PubChem CID94011491
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(2S)-1-(2-hydroxybenzoyl)pyrrolidin-2-yl]methanone
SMILESC[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)C[C@H](C)O1
InChIInChI=1S/C18H24N2O4/c1-12-10-19(11-13(2)24-12)18(23)15-7-5-9-20(15)17(22)14-6-3-4-8-16(14)21/h3-4,6,8,12-13,15,21H,5,7,9-11H2,1-2H3/t12-,13+,15-/m0/s1
InChIKeyRAJZBLIAGPBUDV-GUTXKFCHSA-N
XLogP1.63
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[(2R)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methanone
CID 100850284
[(2R)-2-ethylthiomorpholin-4-yl]-[(2S)-1-(2-hydroxybenzoyl)pyrrolidin-2-yl]methanone
CID 124608516
cyclohexyl-[2-(2-methyl-6-phenylmorpholine-4-carbonyl)pyrrolidin-1-yl]methanone
CID 47914816
[(2S)-1-(2-methylbenzoyl)pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 110285877
[1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]-[4-(2-hydroxybenzoyl)piperazin-1-yl]methanone
CID 55850354
(2-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone
CID 43176525
(2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 43186537
(2R,3R)-1-(2-hydroxybenzoyl)-2-methylpiperidine-3-carboxylic acid
CID 122116461
(2S)-N-(cyclopentylmethyl)-1-(2-hydroxybenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 97209312
[2-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 23968528
(2S)-N-(cyclobutylmethyl)-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide
CID 94447730
(2S)-N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carboxamide
CID 97024105

Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(2S)-1-(2-hydroxybenzoyl)pyrrolidin-2-yl]methanone?
The IUPAC name of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(2S)-1-(2-hydroxybenzoyl)pyrrolidin-2-yl]methanone (CID 94011491) is [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(2S)-1-(2-hydroxybenzoyl)pyrrolidin-2-yl]methanone.
What is the SMILES notation for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(2S)-1-(2-hydroxybenzoyl)pyrrolidin-2-yl]methanone?
The canonical SMILES for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(2S)-1-(2-hydroxybenzoyl)pyrrolidin-2-yl]methanone is C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)C[C@H](C)O1.
What is the InChIKey of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(2S)-1-(2-hydroxybenzoyl)pyrrolidin-2-yl]methanone?
The InChIKey is RAJZBLIAGPBUDV-GUTXKFCHSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-12-10-19(11-13(2)24-12)18(23)15-7-5-9-20(15)17(22)14-6-3-4-8-16(14)21/h3-4,6,8,12-13,15,21H,5,7,9-11H2,1-2H3/t12-,13+,15-/m0/s1.
What are the key properties of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(2S)-1-(2-hydroxybenzoyl)pyrrolidin-2-yl]methanone?
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(2S)-1-(2-hydroxybenzoyl)pyrrolidin-2-yl]methanone has a molecular weight of 332.40 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(2S)-1-(2-hydroxybenzoyl)pyrrolidin-2-yl]methanone is sourced from PubChem (CID 94011491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).