2-[4-(morpholine-2-carbonyl)thiomorpholin-3-yl]acetic acid

C11H18N2O4S — CID 66443562

IUPAC2-[4-(morpholine-2-carbonyl)thiomorpholin-3-yl]acetic acid
SMILESO=C(O)CC1CSCCN1C(=O)C1CNCCO1
InChIInChI=1S/C11H18N2O4S/c14-10(15)5-8-7-18-4-2-13(8)11(16)9-6-12-1-3-17-9/h8-9,12H,1-7H2,(H,14,15)
InChIKeyYJOUVLZBTFJUIW-UHFFFAOYSA-N
MW274.34 g/mol
LogP-0.61
Rot. Bonds3

About 2-[4-(morpholine-2-carbonyl)thiomorpholin-3-yl]acetic acid

2-[4-(morpholine-2-carbonyl)thiomorpholin-3-yl]acetic acid (PubChem CID 66443562) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-[4-(morpholine-2-carbonyl)thiomorpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(morpholine-2-carbonyl)thiomorpholin-3-yl]acetic acid
PubChem CID66443562
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name2-[4-(morpholine-2-carbonyl)thiomorpholin-3-yl]acetic acid
SMILESO=C(O)CC1CSCCN1C(=O)C1CNCCO1
InChIInChI=1S/C11H18N2O4S/c14-10(15)5-8-7-18-4-2-13(8)11(16)9-6-12-1-3-17-9/h8-9,12H,1-7H2,(H,14,15)
InChIKeyYJOUVLZBTFJUIW-UHFFFAOYSA-N
XLogP-0.61
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(morpholine-2-carbonyl)thiomorpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-(morpholine-2-carbonyl)thiomorpholin-3-yl]acetic acid (CID 66443562) is 2-[4-(morpholine-2-carbonyl)thiomorpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(morpholine-2-carbonyl)thiomorpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(morpholine-2-carbonyl)thiomorpholin-3-yl]acetic acid is O=C(O)CC1CSCCN1C(=O)C1CNCCO1.
What is the InChIKey of 2-[4-(morpholine-2-carbonyl)thiomorpholin-3-yl]acetic acid?
The InChIKey is YJOUVLZBTFJUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c14-10(15)5-8-7-18-4-2-13(8)11(16)9-6-12-1-3-17-9/h8-9,12H,1-7H2,(H,14,15).
What are the key properties of 2-[4-(morpholine-2-carbonyl)thiomorpholin-3-yl]acetic acid?
2-[4-(morpholine-2-carbonyl)thiomorpholin-3-yl]acetic acid has a molecular weight of 274.34 g/mol, XLogP of -0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(morpholine-2-carbonyl)thiomorpholin-3-yl]acetic acid is sourced from PubChem (CID 66443562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).