(2R)-4-[2-(4-oxocinnolin-1-yl)acetyl]morpholine-2-carboxylic acid

C15H15N3O5 — CID 129352878

IUPAC(2R)-4-[2-(4-oxocinnolin-1-yl)acetyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)Cn2ncc(=O)c3ccccc32)CCO1
InChIInChI=1S/C15H15N3O5/c19-12-7-16-18(11-4-2-1-3-10(11)12)9-14(20)17-5-6-23-13(8-17)15(21)22/h1-4,7,13H,5-6,8-9H2,(H,21,22)/t13-/m1/s1
InChIKeyASTAAYJZDASIKY-CYBMUJFWSA-N
MW317.30 g/mol
LogP-0.29
Rot. Bonds3

About (2R)-4-[2-(4-oxocinnolin-1-yl)acetyl]morpholine-2-carboxylic acid

(2R)-4-[2-(4-oxocinnolin-1-yl)acetyl]morpholine-2-carboxylic acid (PubChem CID 129352878) has the molecular formula C15H15N3O5 and a molecular weight of 317.30 g/mol. Its IUPAC name is (2R)-4-[2-(4-oxocinnolin-1-yl)acetyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-[2-(4-oxocinnolin-1-yl)acetyl]morpholine-2-carboxylic acid
PubChem CID129352878
Molecular FormulaC15H15N3O5
Molecular Weight317.30 g/mol
Exact Mass317.10
IUPAC Name(2R)-4-[2-(4-oxocinnolin-1-yl)acetyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)Cn2ncc(=O)c3ccccc32)CCO1
InChIInChI=1S/C15H15N3O5/c19-12-7-16-18(11-4-2-1-3-10(11)12)9-14(20)17-5-6-23-13(8-17)15(21)22/h1-4,7,13H,5-6,8-9H2,(H,21,22)/t13-/m1/s1
InChIKeyASTAAYJZDASIKY-CYBMUJFWSA-N
XLogP-0.29
TPSA101.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]cinnolin-4-one
CID 134044292
(2S)-4-[2-(3-methylindol-1-yl)acetyl]morpholine-2-carboxylic acid
CID 124698148
2-(4-oxocinnolin-1-yl)acetic acid
CID 7131158
1-[3-(4-oxocinnolin-1-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 126776520
1-[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-oxoethyl]cinnolin-4-one;hydrochloride
CID 120748083
1-[2-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]cinnolin-4-one
CID 97024362
4-[3-(4-oxoquinazolin-3-yl)propanoyl]morpholine-2-carboxylic acid
CID 119239315
1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]cinnolin-4-one
CID 8969458
1-[2-[4-(4-methylbenzoyl)piperidin-1-yl]-2-oxoethyl]cinnolin-4-one
CID 55956458
1-[3-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-3-oxopropyl]cinnolin-4-one
CID 94643325
2-(4-oxocinnolin-1-yl)acetate
CID 7131157
4-(4-oxo-4-phenylbutanoyl)morpholine-2-carboxylic acid
CID 119239623

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[2-(4-oxocinnolin-1-yl)acetyl]morpholine-2-carboxylic acid?
The IUPAC name of (2R)-4-[2-(4-oxocinnolin-1-yl)acetyl]morpholine-2-carboxylic acid (CID 129352878) is (2R)-4-[2-(4-oxocinnolin-1-yl)acetyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-[2-(4-oxocinnolin-1-yl)acetyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2R)-4-[2-(4-oxocinnolin-1-yl)acetyl]morpholine-2-carboxylic acid is O=C(O)[C@H]1CN(C(=O)Cn2ncc(=O)c3ccccc32)CCO1.
What is the InChIKey of (2R)-4-[2-(4-oxocinnolin-1-yl)acetyl]morpholine-2-carboxylic acid?
The InChIKey is ASTAAYJZDASIKY-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H15N3O5/c19-12-7-16-18(11-4-2-1-3-10(11)12)9-14(20)17-5-6-23-13(8-17)15(21)22/h1-4,7,13H,5-6,8-9H2,(H,21,22)/t13-/m1/s1.
What are the key properties of (2R)-4-[2-(4-oxocinnolin-1-yl)acetyl]morpholine-2-carboxylic acid?
(2R)-4-[2-(4-oxocinnolin-1-yl)acetyl]morpholine-2-carboxylic acid has a molecular weight of 317.30 g/mol, XLogP of -0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[2-(4-oxocinnolin-1-yl)acetyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 129352878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).