2-[4-[(1,1-dioxothian-4-yl)carbamoyl]morpholin-2-yl]acetic acid

C12H20N2O6S — CID 66433295

IUPAC2-[4-[(1,1-dioxothian-4-yl)carbamoyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)NC2CCS(=O)(=O)CC2)CCO1
InChIInChI=1S/C12H20N2O6S/c15-11(16)7-10-8-14(3-4-20-10)12(17)13-9-1-5-21(18,19)6-2-9/h9-10H,1-8H2,(H,13,17)(H,15,16)
InChIKeyVXALHJZJPQIICW-UHFFFAOYSA-N
MW320.37 g/mol
LogP-0.55
Rot. Bonds3

About 2-[4-[(1,1-dioxothian-4-yl)carbamoyl]morpholin-2-yl]acetic acid

2-[4-[(1,1-dioxothian-4-yl)carbamoyl]morpholin-2-yl]acetic acid (PubChem CID 66433295) has the molecular formula C12H20N2O6S and a molecular weight of 320.37 g/mol. Its IUPAC name is 2-[4-[(1,1-dioxothian-4-yl)carbamoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(1,1-dioxothian-4-yl)carbamoyl]morpholin-2-yl]acetic acid
PubChem CID66433295
Molecular FormulaC12H20N2O6S
Molecular Weight320.37 g/mol
Exact Mass320.10
IUPAC Name2-[4-[(1,1-dioxothian-4-yl)carbamoyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)NC2CCS(=O)(=O)CC2)CCO1
InChIInChI=1S/C12H20N2O6S/c15-11(16)7-10-8-14(3-4-20-10)12(17)13-9-1-5-21(18,19)6-2-9/h9-10H,1-8H2,(H,13,17)(H,15,16)
InChIKeyVXALHJZJPQIICW-UHFFFAOYSA-N
XLogP-0.55
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(cyclohex-3-en-1-ylcarbamoyl)morpholin-2-yl]acetic acid
CID 66434709
2-[4-[(2,2-dimethyloxan-4-yl)carbamoyl]morpholin-2-yl]acetic acid
CID 83034767
2-[4-[(2-methylcyclopropyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66435660
2-[4-[(2,3-dimethylcyclopentyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66433739
N-cyclopentyl-2-(hydroxymethyl)morpholine-4-carboxamide
CID 79832616
2-[4-(4-hydroxypiperidine-1-carbonyl)morpholin-2-yl]acetic acid
CID 66433665
2-[4-[(2-ethylcyclohexyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66433704
2-[4-(4-methylpiperidine-1-carbonyl)morpholin-2-yl]acetic acid
CID 66435209
2-[4-(3-methylbutylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435211
4-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 81204653
2-[4-(2-pyrrolidin-1-ylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66436055
2-[4-(1-cyclopropylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435617

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1,1-dioxothian-4-yl)carbamoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[(1,1-dioxothian-4-yl)carbamoyl]morpholin-2-yl]acetic acid (CID 66433295) is 2-[4-[(1,1-dioxothian-4-yl)carbamoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[(1,1-dioxothian-4-yl)carbamoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[(1,1-dioxothian-4-yl)carbamoyl]morpholin-2-yl]acetic acid is O=C(O)CC1CN(C(=O)NC2CCS(=O)(=O)CC2)CCO1.
What is the InChIKey of 2-[4-[(1,1-dioxothian-4-yl)carbamoyl]morpholin-2-yl]acetic acid?
The InChIKey is VXALHJZJPQIICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O6S/c15-11(16)7-10-8-14(3-4-20-10)12(17)13-9-1-5-21(18,19)6-2-9/h9-10H,1-8H2,(H,13,17)(H,15,16).
What are the key properties of 2-[4-[(1,1-dioxothian-4-yl)carbamoyl]morpholin-2-yl]acetic acid?
2-[4-[(1,1-dioxothian-4-yl)carbamoyl]morpholin-2-yl]acetic acid has a molecular weight of 320.37 g/mol, XLogP of -0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1,1-dioxothian-4-yl)carbamoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 66433295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).