4-[2-(4-acetamidotriazol-2-yl)acetyl]morpholine-3-carboxylic acid

C11H15N5O5 — CID 112532084

IUPAC4-[2-(4-acetamidotriazol-2-yl)acetyl]morpholine-3-carboxylic acid
SMILESCC(=O)Nc1cnn(CC(=O)N2CCOCC2C(=O)O)n1
InChIInChI=1S/C11H15N5O5/c1-7(17)13-9-4-12-16(14-9)5-10(18)15-2-3-21-6-8(15)11(19)20/h4,8H,2-3,5-6H2,1H3,(H,19,20)(H,13,14,17)
InChIKeyBZAUYKJDRFJZJH-UHFFFAOYSA-N
MW297.27 g/mol
LogP-1.45
Rot. Bonds4

About 4-[2-(4-acetamidotriazol-2-yl)acetyl]morpholine-3-carboxylic acid

4-[2-(4-acetamidotriazol-2-yl)acetyl]morpholine-3-carboxylic acid (PubChem CID 112532084) has the molecular formula C11H15N5O5 and a molecular weight of 297.27 g/mol. Its IUPAC name is 4-[2-(4-acetamidotriazol-2-yl)acetyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-(4-acetamidotriazol-2-yl)acetyl]morpholine-3-carboxylic acid
PubChem CID112532084
Molecular FormulaC11H15N5O5
Molecular Weight297.27 g/mol
Exact Mass297.11
IUPAC Name4-[2-(4-acetamidotriazol-2-yl)acetyl]morpholine-3-carboxylic acid
SMILESCC(=O)Nc1cnn(CC(=O)N2CCOCC2C(=O)O)n1
InChIInChI=1S/C11H15N5O5/c1-7(17)13-9-4-12-16(14-9)5-10(18)15-2-3-21-6-8(15)11(19)20/h4,8H,2-3,5-6H2,1H3,(H,19,20)(H,13,14,17)
InChIKeyBZAUYKJDRFJZJH-UHFFFAOYSA-N
XLogP-1.45
TPSA126.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 5-1.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 1-[2-(4-acetamidotriazol-2-yl)acetyl]pyrrolidine-2-carboxylate
CID 112531510
(3R)-4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]morpholine-3-carboxylic acid
CID 125152719
(3R)-4-[(3R)-3-acetamido-3-(2,6-difluorophenyl)propanoyl]morpholine-3-carboxylic acid
CID 126454909
4-[2-(2-oxoazocan-1-yl)acetyl]morpholine-3-carboxylic acid
CID 119216347
4-[2-(2,6-dimethylphenyl)acetyl]morpholine-3-carboxylic acid
CID 120686802
(3R)-4-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]morpholine-3-carboxylic acid
CID 125133104
(3S)-4-[2-(4-pyrazol-1-ylphenyl)acetyl]morpholine-3-carboxylic acid
CID 125133070
(3R)-4-[2-(4-pyrazol-1-ylphenyl)acetyl]morpholine-3-carboxylic acid
CID 125133071
methyl 1-[2-[4-(methanesulfonamido)triazol-2-yl]acetyl]piperidine-2-carboxylate
CID 112531575
4-(2-propan-2-yloxyacetyl)morpholine-3-carboxylic acid
CID 112555118
(3S)-4-(2-propyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid
CID 125119497
4-[4-(4-methylphenyl)-4-oxobutanoyl]morpholine-3-carboxylic acid
CID 119215840

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-acetamidotriazol-2-yl)acetyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[2-(4-acetamidotriazol-2-yl)acetyl]morpholine-3-carboxylic acid (CID 112532084) is 4-[2-(4-acetamidotriazol-2-yl)acetyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[2-(4-acetamidotriazol-2-yl)acetyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[2-(4-acetamidotriazol-2-yl)acetyl]morpholine-3-carboxylic acid is CC(=O)Nc1cnn(CC(=O)N2CCOCC2C(=O)O)n1.
What is the InChIKey of 4-[2-(4-acetamidotriazol-2-yl)acetyl]morpholine-3-carboxylic acid?
The InChIKey is BZAUYKJDRFJZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O5/c1-7(17)13-9-4-12-16(14-9)5-10(18)15-2-3-21-6-8(15)11(19)20/h4,8H,2-3,5-6H2,1H3,(H,19,20)(H,13,14,17).
What are the key properties of 4-[2-(4-acetamidotriazol-2-yl)acetyl]morpholine-3-carboxylic acid?
4-[2-(4-acetamidotriazol-2-yl)acetyl]morpholine-3-carboxylic acid has a molecular weight of 297.27 g/mol, XLogP of -1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-acetamidotriazol-2-yl)acetyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 112532084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).