2-[3-(propylcarbamoyl)morpholin-4-yl]sulfonylacetic acid

C10H18N2O6S — CID 83106592

IUPAC2-[3-(propylcarbamoyl)morpholin-4-yl]sulfonylacetic acid
SMILESCCCNC(=O)C1COCCN1S(=O)(=O)CC(=O)O
InChIInChI=1S/C10H18N2O6S/c1-2-3-11-10(15)8-6-18-5-4-12(8)19(16,17)7-9(13)14/h8H,2-7H2,1H3,(H,11,15)(H,13,14)
InChIKeyPRKYHMLMLDKELC-UHFFFAOYSA-N
MW294.33 g/mol
LogP-1.37
Rot. Bonds6

About 2-[3-(propylcarbamoyl)morpholin-4-yl]sulfonylacetic acid

2-[3-(propylcarbamoyl)morpholin-4-yl]sulfonylacetic acid (PubChem CID 83106592) has the molecular formula C10H18N2O6S and a molecular weight of 294.33 g/mol. Its IUPAC name is 2-[3-(propylcarbamoyl)morpholin-4-yl]sulfonylacetic acid.

Molecular Properties

Compound Name2-[3-(propylcarbamoyl)morpholin-4-yl]sulfonylacetic acid
PubChem CID83106592
Molecular FormulaC10H18N2O6S
Molecular Weight294.33 g/mol
Exact Mass294.09
IUPAC Name2-[3-(propylcarbamoyl)morpholin-4-yl]sulfonylacetic acid
SMILESCCCNC(=O)C1COCCN1S(=O)(=O)CC(=O)O
InChIInChI=1S/C10H18N2O6S/c1-2-3-11-10(15)8-6-18-5-4-12(8)19(16,17)7-9(13)14/h8H,2-7H2,1H3,(H,11,15)(H,13,14)
InChIKeyPRKYHMLMLDKELC-UHFFFAOYSA-N
XLogP-1.37
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethylsulfonyl-N-propylmorpholine-3-carboxamide
CID 83105676
4-[3-(propylcarbamoyl)morpholin-4-yl]sulfonylbutanoic acid
CID 83098790
4-(chloromethylsulfonyl)-N-ethylmorpholine-3-carboxamide
CID 83103776
4-[3-(propylcarbamoyl)morpholin-4-yl]butanoic acid
CID 83102944
4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-N-propylmorpholine-3-carboxamide
CID 83104985
4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-N-propylmorpholine-3-carboxamide
CID 83096979
3-N-propylmorpholine-3,4-dicarboxamide
CID 83106321
3-[3-(methylcarbamoyl)morpholin-4-yl]sulfonylpropanoic acid
CID 83106311
2-[methyl-[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid
CID 83103120
2-methyl-2-[[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid
CID 83104560
4-N-butyl-3-N-propylmorpholine-3,4-dicarboxamide
CID 116657442
4-(3-oxobutan-2-yl)-N-propylmorpholine-3-carboxamide
CID 83103248

Frequently Asked Questions

What is the IUPAC name of 2-[3-(propylcarbamoyl)morpholin-4-yl]sulfonylacetic acid?
The IUPAC name of 2-[3-(propylcarbamoyl)morpholin-4-yl]sulfonylacetic acid (CID 83106592) is 2-[3-(propylcarbamoyl)morpholin-4-yl]sulfonylacetic acid.
What is the SMILES notation for 2-[3-(propylcarbamoyl)morpholin-4-yl]sulfonylacetic acid?
The canonical SMILES for 2-[3-(propylcarbamoyl)morpholin-4-yl]sulfonylacetic acid is CCCNC(=O)C1COCCN1S(=O)(=O)CC(=O)O.
What is the InChIKey of 2-[3-(propylcarbamoyl)morpholin-4-yl]sulfonylacetic acid?
The InChIKey is PRKYHMLMLDKELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O6S/c1-2-3-11-10(15)8-6-18-5-4-12(8)19(16,17)7-9(13)14/h8H,2-7H2,1H3,(H,11,15)(H,13,14).
What are the key properties of 2-[3-(propylcarbamoyl)morpholin-4-yl]sulfonylacetic acid?
2-[3-(propylcarbamoyl)morpholin-4-yl]sulfonylacetic acid has a molecular weight of 294.33 g/mol, XLogP of -1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(propylcarbamoyl)morpholin-4-yl]sulfonylacetic acid is sourced from PubChem (CID 83106592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).