2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfonylpropanoic acid

C10H17NO6S — CID 43117070

IUPAC2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfonylpropanoic acid
SMILESCC(C(=O)O)S(=O)(=O)C(C)C(=O)N1CCOCC1
InChIInChI=1S/C10H17NO6S/c1-7(18(15,16)8(2)10(13)14)9(12)11-3-5-17-6-4-11/h7-8H,3-6H2,1-2H3,(H,13,14)
InChIKeyOZSJMMVQEOLSPI-UHFFFAOYSA-N
MW279.31 g/mol
LogP-0.88
Rot. Bonds4

About 2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfonylpropanoic acid

2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfonylpropanoic acid (PubChem CID 43117070) has the molecular formula C10H17NO6S and a molecular weight of 279.31 g/mol. Its IUPAC name is 2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfonylpropanoic acid.

Molecular Properties

Compound Name2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfonylpropanoic acid
PubChem CID43117070
Molecular FormulaC10H17NO6S
Molecular Weight279.31 g/mol
Exact Mass279.08
IUPAC Name2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfonylpropanoic acid
SMILESCC(C(=O)O)S(=O)(=O)C(C)C(=O)N1CCOCC1
InChIInChI=1S/C10H17NO6S/c1-7(18(15,16)8(2)10(13)14)9(12)11-3-5-17-6-4-11/h7-8H,3-6H2,1-2H3,(H,13,14)
InChIKeyOZSJMMVQEOLSPI-UHFFFAOYSA-N
XLogP-0.88
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dimethyl-4-morpholin-4-yl-4-oxobutanoic acid
CID 21025679
2-(2-morpholin-4-yl-2-oxoethyl)sulfonylpropanoic acid
CID 43186071
2-hydroxy-3-morpholin-4-yl-3-oxopropanoic acid
CID 140976949
(2S)-2-chloro-1-morpholin-4-ylpropan-1-one
CID 2434799
2,4-dimethyl-5-oxo-5-(1,4,7-trioxa-10-azacyclododec-10-yl)pentanoic acid
CID 3095235
(2R)-2-amino-1-morpholin-4-ylpropan-1-one;hydrochloride
CID 156637014
(2S)-2-hydroxy-3-methyl-1-morpholin-4-ylbutan-1-one
CID 69460030
(2R)-2-amino-1-(1,4,7-trioxa-10-azacyclododec-10-yl)propan-1-one
CID 1121708
[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamic acid
CID 67759315
2-amino-3-methyl-1-morpholin-4-ylbutan-1-one
CID 22492154
2-(2-aminophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one
CID 61367612
(2S)-1-morpholin-4-yl-2-[(5-phenyl-1H-imidazol-2-yl)sulfonyl]propan-1-one
CID 95592004

Frequently Asked Questions

What is the IUPAC name of 2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfonylpropanoic acid?
The IUPAC name of 2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfonylpropanoic acid (CID 43117070) is 2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfonylpropanoic acid.
What is the SMILES notation for 2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfonylpropanoic acid?
The canonical SMILES for 2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfonylpropanoic acid is CC(C(=O)O)S(=O)(=O)C(C)C(=O)N1CCOCC1.
What is the InChIKey of 2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfonylpropanoic acid?
The InChIKey is OZSJMMVQEOLSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO6S/c1-7(18(15,16)8(2)10(13)14)9(12)11-3-5-17-6-4-11/h7-8H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfonylpropanoic acid?
2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfonylpropanoic acid has a molecular weight of 279.31 g/mol, XLogP of -0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfonylpropanoic acid is sourced from PubChem (CID 43117070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).