(2S)-2-(4-cyanophenyl)morpholine-4-carboxylic acid

C12H12N2O3 — CID 66862110

IUPAC(2S)-2-(4-cyanophenyl)morpholine-4-carboxylic acid
SMILESN#Cc1ccc([C@H]2CN(C(=O)O)CCO2)cc1
InChIInChI=1S/C12H12N2O3/c13-7-9-1-3-10(4-2-9)11-8-14(12(15)16)5-6-17-11/h1-4,11H,5-6,8H2,(H,15,16)/t11-/m1/s1
InChIKeyCWYYBMRAQJUVPK-LLVKDONJSA-N
MW232.24 g/mol
LogP1.61
Rot. Bonds1

About (2S)-2-(4-cyanophenyl)morpholine-4-carboxylic acid

(2S)-2-(4-cyanophenyl)morpholine-4-carboxylic acid (PubChem CID 66862110) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is (2S)-2-(4-cyanophenyl)morpholine-4-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-(4-cyanophenyl)morpholine-4-carboxylic acid
PubChem CID66862110
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name(2S)-2-(4-cyanophenyl)morpholine-4-carboxylic acid
SMILESN#Cc1ccc([C@H]2CN(C(=O)O)CCO2)cc1
InChIInChI=1S/C12H12N2O3/c13-7-9-1-3-10(4-2-9)11-8-14(12(15)16)5-6-17-11/h1-4,11H,5-6,8H2,(H,15,16)/t11-/m1/s1
InChIKeyCWYYBMRAQJUVPK-LLVKDONJSA-N
XLogP1.61
TPSA73.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminophenyl)morpholine-4-carboxylic acid
CID 66705901
2-(4-amino-3-cyanophenyl)morpholine-4-carboxylic acid
CID 89262028
4-[3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropyl]benzonitrile
CID 134044332
4-[[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]sulfanylmethyl]benzonitrile
CID 55738682
4-[4-[2-(difluoromethyl)-6-fluorobenzoyl]morpholin-2-yl]benzonitrile
CID 166376970
(2R)-2-(4-phenylmethoxyphenyl)morpholine-4-carboxylic acid
CID 68617082
4-[(2S)-4-acetylmorpholin-2-yl]benzoic acid
CID 167741837
(2R)-2-(3-cyanophenyl)-N-methyl-N-propan-2-ylmorpholine-4-carboxamide
CID 124884126
2-[4-(1-methylimidazol-2-yl)phenyl]morpholine-4-carboxylic acid
CID 91591906
3-[(2S)-2-(4-bromophenyl)morpholin-4-yl]-2,2-dimethyl-3-oxopropanenitrile
CID 94199655
morpholin-4-yl-(2-phenylmorpholin-4-yl)methanone
CID 110291317
N-(1-cyanopyrrolidin-3-yl)-2-phenylmorpholine-4-carboxamide
CID 134363678

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-cyanophenyl)morpholine-4-carboxylic acid?
The IUPAC name of (2S)-2-(4-cyanophenyl)morpholine-4-carboxylic acid (CID 66862110) is (2S)-2-(4-cyanophenyl)morpholine-4-carboxylic acid.
What is the SMILES notation for (2S)-2-(4-cyanophenyl)morpholine-4-carboxylic acid?
The canonical SMILES for (2S)-2-(4-cyanophenyl)morpholine-4-carboxylic acid is N#Cc1ccc([C@H]2CN(C(=O)O)CCO2)cc1.
What is the InChIKey of (2S)-2-(4-cyanophenyl)morpholine-4-carboxylic acid?
The InChIKey is CWYYBMRAQJUVPK-LLVKDONJSA-N. The full InChI is InChI=1S/C12H12N2O3/c13-7-9-1-3-10(4-2-9)11-8-14(12(15)16)5-6-17-11/h1-4,11H,5-6,8H2,(H,15,16)/t11-/m1/s1.
What are the key properties of (2S)-2-(4-cyanophenyl)morpholine-4-carboxylic acid?
(2S)-2-(4-cyanophenyl)morpholine-4-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-cyanophenyl)morpholine-4-carboxylic acid is sourced from PubChem (CID 66862110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).