2-[1-(thiomorpholine-4-carbonyl)azetidin-3-yl]acetic acid

C10H16N2O3S — CID 64618608

IUPAC2-[1-(thiomorpholine-4-carbonyl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)N2CCSCC2)C1
InChIInChI=1S/C10H16N2O3S/c13-9(14)5-8-6-12(7-8)10(15)11-1-3-16-4-2-11/h8H,1-7H2,(H,13,14)
InChIKeyZYDWAAAENCKGAM-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.56
Rot. Bonds2

About 2-[1-(thiomorpholine-4-carbonyl)azetidin-3-yl]acetic acid

2-[1-(thiomorpholine-4-carbonyl)azetidin-3-yl]acetic acid (PubChem CID 64618608) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-[1-(thiomorpholine-4-carbonyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(thiomorpholine-4-carbonyl)azetidin-3-yl]acetic acid
PubChem CID64618608
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name2-[1-(thiomorpholine-4-carbonyl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)N2CCSCC2)C1
InChIInChI=1S/C10H16N2O3S/c13-9(14)5-8-6-12(7-8)10(15)11-1-3-16-4-2-11/h8H,1-7H2,(H,13,14)
InChIKeyZYDWAAAENCKGAM-UHFFFAOYSA-N
XLogP0.56
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(thiomorpholine-4-carbonyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(thiomorpholine-4-carbonyl)azetidin-3-yl]acetic acid (CID 64618608) is 2-[1-(thiomorpholine-4-carbonyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(thiomorpholine-4-carbonyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(thiomorpholine-4-carbonyl)azetidin-3-yl]acetic acid is O=C(O)CC1CN(C(=O)N2CCSCC2)C1.
What is the InChIKey of 2-[1-(thiomorpholine-4-carbonyl)azetidin-3-yl]acetic acid?
The InChIKey is ZYDWAAAENCKGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c13-9(14)5-8-6-12(7-8)10(15)11-1-3-16-4-2-11/h8H,1-7H2,(H,13,14).
What are the key properties of 2-[1-(thiomorpholine-4-carbonyl)azetidin-3-yl]acetic acid?
2-[1-(thiomorpholine-4-carbonyl)azetidin-3-yl]acetic acid has a molecular weight of 244.32 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(thiomorpholine-4-carbonyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 64618608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).