4-[2-(azetidin-3-yl)acetyl]thiomorpholine-3-carboxylic acid

C10H16N2O3S — CID 82904022

IUPAC4-[2-(azetidin-3-yl)acetyl]thiomorpholine-3-carboxylic acid
SMILESO=C(O)C1CSCCN1C(=O)CC1CNC1
InChIInChI=1S/C10H16N2O3S/c13-9(3-7-4-11-5-7)12-1-2-16-6-8(12)10(14)15/h7-8,11H,1-6H2,(H,14,15)
InChIKeyJQFFMNPJXITEAF-UHFFFAOYSA-N
MW244.32 g/mol
LogP-0.38
Rot. Bonds3

About 4-[2-(azetidin-3-yl)acetyl]thiomorpholine-3-carboxylic acid

4-[2-(azetidin-3-yl)acetyl]thiomorpholine-3-carboxylic acid (PubChem CID 82904022) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 4-[2-(azetidin-3-yl)acetyl]thiomorpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-(azetidin-3-yl)acetyl]thiomorpholine-3-carboxylic acid
PubChem CID82904022
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name4-[2-(azetidin-3-yl)acetyl]thiomorpholine-3-carboxylic acid
SMILESO=C(O)C1CSCCN1C(=O)CC1CNC1
InChIInChI=1S/C10H16N2O3S/c13-9(3-7-4-11-5-7)12-1-2-16-6-8(12)10(14)15/h7-8,11H,1-6H2,(H,14,15)
InChIKeyJQFFMNPJXITEAF-UHFFFAOYSA-N
XLogP-0.38
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2,2-dimethylpropanoylamino)acetyl]thiomorpholine-3-carboxylic acid
CID 78980264
4-[2-(2-methoxyethoxy)acetyl]thiomorpholine-3-carboxylic acid
CID 82900985
4-(3-aminobutanoyl)thiomorpholine-3-carboxylic acid
CID 82904428
4-(1-aminocyclobutanecarbonyl)thiomorpholine-3-carboxylic acid
CID 82904599
4-[2-(1-methoxycyclobutyl)acetyl]thiomorpholine-3-carboxylic acid
CID 103555772
4-(2-morpholin-3-ylacetyl)thiomorpholine-3-carboxylic acid
CID 82904512
4-(2,2,2-trifluoroethylcarbamoyl)thiomorpholine-3-carboxylic acid
CID 82904463
4-(4-ethoxy-4-oxobutanoyl)thiomorpholine-3-carboxylic acid
CID 82900928
4-(4-ethylpiperidine-4-carbonyl)thiomorpholine-3-carboxylic acid
CID 82904016
4-(2-thiophen-3-ylacetyl)thiomorpholine-3-carboxylic acid
CID 78979377
(2S,4R)-1-[2-(azetidin-3-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64610216
4-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]thiomorpholine-3-carboxylic acid
CID 82901485

Frequently Asked Questions

What is the IUPAC name of 4-[2-(azetidin-3-yl)acetyl]thiomorpholine-3-carboxylic acid?
The IUPAC name of 4-[2-(azetidin-3-yl)acetyl]thiomorpholine-3-carboxylic acid (CID 82904022) is 4-[2-(azetidin-3-yl)acetyl]thiomorpholine-3-carboxylic acid.
What is the SMILES notation for 4-[2-(azetidin-3-yl)acetyl]thiomorpholine-3-carboxylic acid?
The canonical SMILES for 4-[2-(azetidin-3-yl)acetyl]thiomorpholine-3-carboxylic acid is O=C(O)C1CSCCN1C(=O)CC1CNC1.
What is the InChIKey of 4-[2-(azetidin-3-yl)acetyl]thiomorpholine-3-carboxylic acid?
The InChIKey is JQFFMNPJXITEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c13-9(3-7-4-11-5-7)12-1-2-16-6-8(12)10(14)15/h7-8,11H,1-6H2,(H,14,15).
What are the key properties of 4-[2-(azetidin-3-yl)acetyl]thiomorpholine-3-carboxylic acid?
4-[2-(azetidin-3-yl)acetyl]thiomorpholine-3-carboxylic acid has a molecular weight of 244.32 g/mol, XLogP of -0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(azetidin-3-yl)acetyl]thiomorpholine-3-carboxylic acid is sourced from PubChem (CID 82904022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).