4-[(2S)-2-amino-2-phenylacetyl]morpholine-2-carbonitrile

C13H15N3O2 — CID 104898120

IUPAC4-[(2S)-2-amino-2-phenylacetyl]morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)[C@@H](N)c2ccccc2)CCO1
InChIInChI=1S/C13H15N3O2/c14-8-11-9-16(6-7-18-11)13(17)12(15)10-4-2-1-3-5-10/h1-5,11-12H,6-7,9,15H2/t11?,12-/m0/s1
InChIKeyMTWWXXCMFPSCIF-KIYNQFGBSA-N
MW245.28 g/mol
LogP0.44
Rot. Bonds2

About 4-[(2S)-2-amino-2-phenylacetyl]morpholine-2-carbonitrile

4-[(2S)-2-amino-2-phenylacetyl]morpholine-2-carbonitrile (PubChem CID 104898120) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-[(2S)-2-amino-2-phenylacetyl]morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-[(2S)-2-amino-2-phenylacetyl]morpholine-2-carbonitrile
PubChem CID104898120
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name4-[(2S)-2-amino-2-phenylacetyl]morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)[C@@H](N)c2ccccc2)CCO1
InChIInChI=1S/C13H15N3O2/c14-8-11-9-16(6-7-18-11)13(17)12(15)10-4-2-1-3-5-10/h1-5,11-12H,6-7,9,15H2/t11?,12-/m0/s1
InChIKeyMTWWXXCMFPSCIF-KIYNQFGBSA-N
XLogP0.44
TPSA79.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methyl-2-phenylpentanoyl)morpholine-2-carbonitrile
CID 78967635
(2R)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylethanone
CID 81203556
2-amino-2-phenyl-1-(2-phenylmorpholin-4-yl)ethanone;hydrochloride
CID 119278824
2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylethanone
CID 81203547
4-(3-phenyl-2-sulfanylpropanoyl)morpholine-2-carbonitrile
CID 107032226
2-amino-1-morpholin-4-yl-2-phenylethanone
CID 24701957
4-[(2S)-2-amino-3-methylbutanoyl]morpholine-2-carbonitrile
CID 79681377
2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-phenylethanone
CID 119290568
2-amino-2-phenyl-1-(4-phenylpiperidin-1-yl)ethanone
CID 119278410
4-(2-cyanopropanoyl)morpholine-2-carbonitrile
CID 78996355
2-amino-2-phenyl-1-(3-phenylpyrrolidin-1-yl)ethanone;hydrochloride
CID 119290269
(2R)-4-[(1R)-1-phenylethyl]morpholine-2-carbonitrile
CID 71421335

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-amino-2-phenylacetyl]morpholine-2-carbonitrile?
The IUPAC name of 4-[(2S)-2-amino-2-phenylacetyl]morpholine-2-carbonitrile (CID 104898120) is 4-[(2S)-2-amino-2-phenylacetyl]morpholine-2-carbonitrile.
What is the SMILES notation for 4-[(2S)-2-amino-2-phenylacetyl]morpholine-2-carbonitrile?
The canonical SMILES for 4-[(2S)-2-amino-2-phenylacetyl]morpholine-2-carbonitrile is N#CC1CN(C(=O)[C@@H](N)c2ccccc2)CCO1.
What is the InChIKey of 4-[(2S)-2-amino-2-phenylacetyl]morpholine-2-carbonitrile?
The InChIKey is MTWWXXCMFPSCIF-KIYNQFGBSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-8-11-9-16(6-7-18-11)13(17)12(15)10-4-2-1-3-5-10/h1-5,11-12H,6-7,9,15H2/t11?,12-/m0/s1.
What are the key properties of 4-[(2S)-2-amino-2-phenylacetyl]morpholine-2-carbonitrile?
4-[(2S)-2-amino-2-phenylacetyl]morpholine-2-carbonitrile has a molecular weight of 245.28 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-amino-2-phenylacetyl]morpholine-2-carbonitrile is sourced from PubChem (CID 104898120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).