(2S)-4-[(3-pyridin-2-ylphenyl)methyl]morpholine-2-carboxylic acid

C17H18N2O3 — CID 95866693

IUPAC(2S)-4-[(3-pyridin-2-ylphenyl)methyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CN(Cc2cccc(-c3ccccn3)c2)CCO1
InChIInChI=1S/C17H18N2O3/c20-17(21)16-12-19(8-9-22-16)11-13-4-3-5-14(10-13)15-6-1-2-7-18-15/h1-7,10,16H,8-9,11-12H2,(H,20,21)/t16-/m0/s1
InChIKeyPRQLUKGPVBKRFV-INIZCTEOSA-N
MW298.34 g/mol
LogP2.03
Rot. Bonds4

About (2S)-4-[(3-pyridin-2-ylphenyl)methyl]morpholine-2-carboxylic acid

(2S)-4-[(3-pyridin-2-ylphenyl)methyl]morpholine-2-carboxylic acid (PubChem CID 95866693) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is (2S)-4-[(3-pyridin-2-ylphenyl)methyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-[(3-pyridin-2-ylphenyl)methyl]morpholine-2-carboxylic acid
PubChem CID95866693
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name(2S)-4-[(3-pyridin-2-ylphenyl)methyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CN(Cc2cccc(-c3ccccn3)c2)CCO1
InChIInChI=1S/C17H18N2O3/c20-17(21)16-12-19(8-9-22-16)11-13-4-3-5-14(10-13)15-6-1-2-7-18-15/h1-7,10,16H,8-9,11-12H2,(H,20,21)/t16-/m0/s1
InChIKeyPRQLUKGPVBKRFV-INIZCTEOSA-N
XLogP2.03
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[[4-[(3-pyridin-2-ylphenyl)methyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122043791
(2S)-4-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]morpholine-2-carboxylic acid
CID 125438870
(2R)-1-methyl-4-[(3-pyridin-2-ylphenyl)methyl]piperazine-2-carboxylic acid
CID 95189473
4-(pyrimidin-2-ylmethyl)morpholine-2-carboxylic acid
CID 62699016
3-[1-[(3-pyridin-2-ylphenyl)methyl]piperidin-3-yl]propanoic acid
CID 146137457
(3aR,5R,6S,7aS)-2-[(3-pyridin-2-ylphenyl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-5,6-diol
CID 56882860
[(2S)-4-benzylmorpholin-2-yl]-phenylmethanone;(4-benzylmorpholin-2-yl)-phenylmethanone
CID 158902777
4-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]morpholine-2-carboxylic acid
CID 131909517
4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholine-2-carboxylic acid
CID 66411236
4-[(2-methylquinolin-6-yl)methyl]morpholine-2-carboxylic acid
CID 105379675
4-[(4-fluoro-3-methylphenyl)methyl]morpholine-2-carboxylic acid
CID 65067073
4-[(3-fluorophenyl)methyl]-2-pyridin-2-ylmorpholine
CID 110270812

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(3-pyridin-2-ylphenyl)methyl]morpholine-2-carboxylic acid?
The IUPAC name of (2S)-4-[(3-pyridin-2-ylphenyl)methyl]morpholine-2-carboxylic acid (CID 95866693) is (2S)-4-[(3-pyridin-2-ylphenyl)methyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-[(3-pyridin-2-ylphenyl)methyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2S)-4-[(3-pyridin-2-ylphenyl)methyl]morpholine-2-carboxylic acid is O=C(O)[C@@H]1CN(Cc2cccc(-c3ccccn3)c2)CCO1.
What is the InChIKey of (2S)-4-[(3-pyridin-2-ylphenyl)methyl]morpholine-2-carboxylic acid?
The InChIKey is PRQLUKGPVBKRFV-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18N2O3/c20-17(21)16-12-19(8-9-22-16)11-13-4-3-5-14(10-13)15-6-1-2-7-18-15/h1-7,10,16H,8-9,11-12H2,(H,20,21)/t16-/m0/s1.
What are the key properties of (2S)-4-[(3-pyridin-2-ylphenyl)methyl]morpholine-2-carboxylic acid?
(2S)-4-[(3-pyridin-2-ylphenyl)methyl]morpholine-2-carboxylic acid has a molecular weight of 298.34 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(3-pyridin-2-ylphenyl)methyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 95866693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).