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

C11H19NO5S — CID 105355499

IUPAC2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfinylbutanoic acid
SMILESCCC(C(=O)O)S(=O)C(C)C(=O)N1CCOCC1
InChIInChI=1S/C11H19NO5S/c1-3-9(11(14)15)18(16)8(2)10(13)12-4-6-17-7-5-12/h8-9H,3-7H2,1-2H3,(H,14,15)
InChIKeyTZJISYKCCVYCJA-UHFFFAOYSA-N
MW277.34 g/mol
LogP-0.15
Rot. Bonds5

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

2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfinylbutanoic acid (PubChem CID 105355499) has the molecular formula C11H19NO5S and a molecular weight of 277.34 g/mol. Its IUPAC name is 2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfinylbutanoic acid.

Molecular Properties

Compound Name2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfinylbutanoic acid
PubChem CID105355499
Molecular FormulaC11H19NO5S
Molecular Weight277.34 g/mol
Exact Mass277.10
IUPAC Name2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfinylbutanoic acid
SMILESCCC(C(=O)O)S(=O)C(C)C(=O)N1CCOCC1
InChIInChI=1S/C11H19NO5S/c1-3-9(11(14)15)18(16)8(2)10(13)12-4-6-17-7-5-12/h8-9H,3-7H2,1-2H3,(H,14,15)
InChIKeyTZJISYKCCVYCJA-UHFFFAOYSA-N
XLogP-0.15
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfinylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-hydroxy-1-morpholin-4-ylbutan-1-one
CID 69457105
2,3-dimethyl-4-morpholin-4-yl-4-oxobutanoic acid
CID 21025679
2-chloro-1-morpholin-4-ylbutan-1-one
CID 62226878
2,4-dimethyl-5-oxo-5-(1,4,7-trioxa-10-azacyclododec-10-yl)pentanoic acid
CID 3095235
2-isocyano-1-morpholin-4-ylbutan-1-one
CID 134865549
[(2R,3R)-3-methyl-1-oxo-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)pentan-2-yl]azanium
CID 7452509
3-methyl-2-morpholin-4-ylpentanoic acid
CID 61319548
2-ethylbutanoic acid;2-ethyl-1-morpholin-4-ylbutan-1-one;morpholine
CID 160748573
(2S)-2-chloro-1-morpholin-4-ylpropan-1-one
CID 2434799
2-hydroxy-3-morpholin-4-yl-3-oxopropanoic acid
CID 140976949
2-[1-(azepan-1-yl)-1-oxopropan-2-yl]sulfinylpropanoic acid
CID 54883842
3-[ethyl-(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-2-methylpropanoic acid
CID 62853315

Frequently Asked Questions

What is the IUPAC name of 2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfinylbutanoic acid?
The IUPAC name of 2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfinylbutanoic acid (CID 105355499) is 2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfinylbutanoic acid.
What is the SMILES notation for 2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfinylbutanoic acid?
The canonical SMILES for 2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfinylbutanoic acid is CCC(C(=O)O)S(=O)C(C)C(=O)N1CCOCC1.
What is the InChIKey of 2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfinylbutanoic acid?
The InChIKey is TZJISYKCCVYCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5S/c1-3-9(11(14)15)18(16)8(2)10(13)12-4-6-17-7-5-12/h8-9H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfinylbutanoic acid?
2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfinylbutanoic acid has a molecular weight of 277.34 g/mol, XLogP of -0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfinylbutanoic acid is sourced from PubChem (CID 105355499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).