2-(4-phthalazin-1-ylmorpholin-2-yl)acetic acid

C14H15N3O3 — CID 66435195

IUPAC2-(4-phthalazin-1-ylmorpholin-2-yl)acetic acid
SMILESO=C(O)CC1CN(c2nncc3ccccc23)CCO1
InChIInChI=1S/C14H15N3O3/c18-13(19)7-11-9-17(5-6-20-11)14-12-4-2-1-3-10(12)8-15-16-14/h1-4,8,11H,5-7,9H2,(H,18,19)
InChIKeyCVONJUIWQBOKQO-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.31
Rot. Bonds3

About 2-(4-phthalazin-1-ylmorpholin-2-yl)acetic acid

2-(4-phthalazin-1-ylmorpholin-2-yl)acetic acid (PubChem CID 66435195) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-(4-phthalazin-1-ylmorpholin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4-phthalazin-1-ylmorpholin-2-yl)acetic acid
PubChem CID66435195
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-(4-phthalazin-1-ylmorpholin-2-yl)acetic acid
SMILESO=C(O)CC1CN(c2nncc3ccccc23)CCO1
InChIInChI=1S/C14H15N3O3/c18-13(19)7-11-9-17(5-6-20-11)14-12-4-2-1-3-10(12)8-15-16-14/h1-4,8,11H,5-7,9H2,(H,18,19)
InChIKeyCVONJUIWQBOKQO-UHFFFAOYSA-N
XLogP1.31
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(2-fluoroethyl)-4-phthalazin-1-ylmorpholine
CID 164632113
2-[4-(3-methylquinoxalin-2-yl)morpholin-2-yl]acetic acid
CID 66435975
2-[4-(3-carbamoyl-2-pyridinyl)morpholin-2-yl]acetic acid
CID 66435763
2-[4-(6-carbamoyl-2-pyridinyl)morpholin-2-yl]acetic acid
CID 66435001
3-(1-phthalazin-1-ylpiperidin-4-yl)propanoic acid
CID 62216981
2-(4-pyridin-4-ylmorpholin-2-yl)acetic acid
CID 66435959
(3S,4S)-4-methyl-1-phthalazin-1-ylpyrrolidine-3-carboxylic acid
CID 114085555
2-[4-(5-methyl-2-pyridinyl)morpholin-2-yl]acetic acid
CID 66433835
2-(4-phenoxycarbonylmorpholin-2-yl)acetic acid
CID 66435355
2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholin-2-yl]acetic acid
CID 66435958
2-(1-phthalazin-1-ylpyrrolidin-3-yl)ethanol
CID 114799546
2-[4-(2-methylsulfonylphenyl)morpholin-2-yl]acetic acid
CID 66435977

Frequently Asked Questions

What is the IUPAC name of 2-(4-phthalazin-1-ylmorpholin-2-yl)acetic acid?
The IUPAC name of 2-(4-phthalazin-1-ylmorpholin-2-yl)acetic acid (CID 66435195) is 2-(4-phthalazin-1-ylmorpholin-2-yl)acetic acid.
What is the SMILES notation for 2-(4-phthalazin-1-ylmorpholin-2-yl)acetic acid?
The canonical SMILES for 2-(4-phthalazin-1-ylmorpholin-2-yl)acetic acid is O=C(O)CC1CN(c2nncc3ccccc23)CCO1.
What is the InChIKey of 2-(4-phthalazin-1-ylmorpholin-2-yl)acetic acid?
The InChIKey is CVONJUIWQBOKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c18-13(19)7-11-9-17(5-6-20-11)14-12-4-2-1-3-10(12)8-15-16-14/h1-4,8,11H,5-7,9H2,(H,18,19).
What are the key properties of 2-(4-phthalazin-1-ylmorpholin-2-yl)acetic acid?
2-(4-phthalazin-1-ylmorpholin-2-yl)acetic acid has a molecular weight of 273.29 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phthalazin-1-ylmorpholin-2-yl)acetic acid is sourced from PubChem (CID 66435195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).