(3R)-4-[(2S)-2-methoxy-2-phenylacetyl]morpholine-3-carbonitrile

C14H16N2O3 — CID 97347582

IUPAC(3R)-4-[(2S)-2-methoxy-2-phenylacetyl]morpholine-3-carbonitrile
SMILESCO[C@H](C(=O)N1CCOC[C@H]1C#N)c1ccccc1
InChIInChI=1S/C14H16N2O3/c1-18-13(11-5-3-2-4-6-11)14(17)16-7-8-19-10-12(16)9-15/h2-6,12-13H,7-8,10H2,1H3/t12-,13+/m1/s1
InChIKeyUKVXPLJFVJSJAV-OLZOCXBDSA-N
MW260.29 g/mol
LogP1.13
Rot. Bonds3

About (3R)-4-[(2S)-2-methoxy-2-phenylacetyl]morpholine-3-carbonitrile

(3R)-4-[(2S)-2-methoxy-2-phenylacetyl]morpholine-3-carbonitrile (PubChem CID 97347582) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is (3R)-4-[(2S)-2-methoxy-2-phenylacetyl]morpholine-3-carbonitrile.

Molecular Properties

Compound Name(3R)-4-[(2S)-2-methoxy-2-phenylacetyl]morpholine-3-carbonitrile
PubChem CID97347582
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name(3R)-4-[(2S)-2-methoxy-2-phenylacetyl]morpholine-3-carbonitrile
SMILESCO[C@H](C(=O)N1CCOC[C@H]1C#N)c1ccccc1
InChIInChI=1S/C14H16N2O3/c1-18-13(11-5-3-2-4-6-11)14(17)16-7-8-19-10-12(16)9-15/h2-6,12-13H,7-8,10H2,1H3/t12-,13+/m1/s1
InChIKeyUKVXPLJFVJSJAV-OLZOCXBDSA-N
XLogP1.13
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-4-[(2S)-2-methoxy-2-phenylacetyl]morpholine-3-carboxylic acid
CID 124513285
(3S)-4-(4-acetylbenzoyl)morpholine-3-carbonitrile
CID 96570106
2-hydroxy-1-(3-methylmorpholin-4-yl)-2-phenylethanone
CID 111432313
1-(2-methoxy-2-phenylacetyl)-2-methylpiperidine-4-carboxylic acid
CID 106741791
1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-methoxy-2-phenylethanone
CID 102738494
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methoxy-2-phenylethanone
CID 62099075
2-methoxy-2-phenyl-1-piperidin-1-ylethanone
CID 60775756
3-cyano-N-(3-methylphenyl)morpholine-4-carboxamide
CID 110190200
(3R)-4-[(4S)-3,4-dihydro-2H-chromene-4-carbonyl]morpholine-3-carbonitrile
CID 97016775
6-(2-methoxy-2-phenylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174526
4-(2-cyclohexyloxybutanoyl)morpholine-3-carbonitrile
CID 84588524
4-(2-methoxy-2-phenylacetyl)morpholine-2-carboxamide
CID 49417402

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[(2S)-2-methoxy-2-phenylacetyl]morpholine-3-carbonitrile?
The IUPAC name of (3R)-4-[(2S)-2-methoxy-2-phenylacetyl]morpholine-3-carbonitrile (CID 97347582) is (3R)-4-[(2S)-2-methoxy-2-phenylacetyl]morpholine-3-carbonitrile.
What is the SMILES notation for (3R)-4-[(2S)-2-methoxy-2-phenylacetyl]morpholine-3-carbonitrile?
The canonical SMILES for (3R)-4-[(2S)-2-methoxy-2-phenylacetyl]morpholine-3-carbonitrile is CO[C@H](C(=O)N1CCOC[C@H]1C#N)c1ccccc1.
What is the InChIKey of (3R)-4-[(2S)-2-methoxy-2-phenylacetyl]morpholine-3-carbonitrile?
The InChIKey is UKVXPLJFVJSJAV-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-18-13(11-5-3-2-4-6-11)14(17)16-7-8-19-10-12(16)9-15/h2-6,12-13H,7-8,10H2,1H3/t12-,13+/m1/s1.
What are the key properties of (3R)-4-[(2S)-2-methoxy-2-phenylacetyl]morpholine-3-carbonitrile?
(3R)-4-[(2S)-2-methoxy-2-phenylacetyl]morpholine-3-carbonitrile has a molecular weight of 260.29 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[(2S)-2-methoxy-2-phenylacetyl]morpholine-3-carbonitrile is sourced from PubChem (CID 97347582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).