3-[6-(4-phenylmorpholin-2-yl)pyrazin-2-yl]propanoic acid

C17H19N3O3 — CID 110269700

IUPAC3-[6-(4-phenylmorpholin-2-yl)pyrazin-2-yl]propanoic acid
SMILESO=C(O)CCc1cncc(C2CN(c3ccccc3)CCO2)n1
InChIInChI=1S/C17H19N3O3/c21-17(22)7-6-13-10-18-11-15(19-13)16-12-20(8-9-23-16)14-4-2-1-3-5-14/h1-5,10-11,16H,6-9,12H2,(H,21,22)
InChIKeyNOBYBWZATWOELR-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.07
Rot. Bonds5

About 3-[6-(4-phenylmorpholin-2-yl)pyrazin-2-yl]propanoic acid

3-[6-(4-phenylmorpholin-2-yl)pyrazin-2-yl]propanoic acid (PubChem CID 110269700) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-[6-(4-phenylmorpholin-2-yl)pyrazin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[6-(4-phenylmorpholin-2-yl)pyrazin-2-yl]propanoic acid
PubChem CID110269700
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name3-[6-(4-phenylmorpholin-2-yl)pyrazin-2-yl]propanoic acid
SMILESO=C(O)CCc1cncc(C2CN(c3ccccc3)CCO2)n1
InChIInChI=1S/C17H19N3O3/c21-17(22)7-6-13-10-18-11-15(19-13)16-12-20(8-9-23-16)14-4-2-1-3-5-14/h1-5,10-11,16H,6-9,12H2,(H,21,22)
InChIKeyNOBYBWZATWOELR-UHFFFAOYSA-N
XLogP2.07
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-3-[6-(4-pyrimidin-2-ylmorpholin-2-yl)pyrazin-2-yl]propanamide
CID 110268083
(2R)-4-phenylmorpholine-2-carboxylic acid
CID 95804269
(2R)-2-pyridin-2-yl-4-pyridin-3-ylmorpholine
CID 125015690
2-methyl-6-(4-phenylmorpholin-2-yl)pyrimidin-4-amine
CID 110271823
N-[[(2S)-4-phenylmorpholin-2-yl]methyl]-2H-triazole-4-carboxamide
CID 95726375
2-(4-pyridin-4-ylmorpholin-2-yl)acetic acid
CID 66435959
3-(2-phenylmorpholin-4-yl)propanoic acid
CID 119134654
N-[(4-phenylmorpholin-2-yl)methyl]acetamide
CID 70790066
4-phenylmorpholine-2-carbonitrile
CID 67651414
phenyl-[(2S)-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]methanone
CID 124940424
3-[6-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-2-pyridinyl]propanoic acid
CID 95827209
3-(1-phenyltriazol-4-yl)propanoic acid
CID 15619013

Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-phenylmorpholin-2-yl)pyrazin-2-yl]propanoic acid?
The IUPAC name of 3-[6-(4-phenylmorpholin-2-yl)pyrazin-2-yl]propanoic acid (CID 110269700) is 3-[6-(4-phenylmorpholin-2-yl)pyrazin-2-yl]propanoic acid.
What is the SMILES notation for 3-[6-(4-phenylmorpholin-2-yl)pyrazin-2-yl]propanoic acid?
The canonical SMILES for 3-[6-(4-phenylmorpholin-2-yl)pyrazin-2-yl]propanoic acid is O=C(O)CCc1cncc(C2CN(c3ccccc3)CCO2)n1.
What is the InChIKey of 3-[6-(4-phenylmorpholin-2-yl)pyrazin-2-yl]propanoic acid?
The InChIKey is NOBYBWZATWOELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c21-17(22)7-6-13-10-18-11-15(19-13)16-12-20(8-9-23-16)14-4-2-1-3-5-14/h1-5,10-11,16H,6-9,12H2,(H,21,22).
What are the key properties of 3-[6-(4-phenylmorpholin-2-yl)pyrazin-2-yl]propanoic acid?
3-[6-(4-phenylmorpholin-2-yl)pyrazin-2-yl]propanoic acid has a molecular weight of 313.36 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-phenylmorpholin-2-yl)pyrazin-2-yl]propanoic acid is sourced from PubChem (CID 110269700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).