4-(3-methylsulfanylbutylcarbamoyl)morpholine-3-carboxylic acid

C11H20N2O4S — CID 113363829

IUPAC4-(3-methylsulfanylbutylcarbamoyl)morpholine-3-carboxylic acid
SMILESCSC(C)CCNC(=O)N1CCOCC1C(=O)O
InChIInChI=1S/C11H20N2O4S/c1-8(18-2)3-4-12-11(16)13-5-6-17-7-9(13)10(14)15/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyGFXGKOXDWHQIMG-UHFFFAOYSA-N
MW276.36 g/mol
LogP0.62
Rot. Bonds5

About 4-(3-methylsulfanylbutylcarbamoyl)morpholine-3-carboxylic acid

4-(3-methylsulfanylbutylcarbamoyl)morpholine-3-carboxylic acid (PubChem CID 113363829) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is 4-(3-methylsulfanylbutylcarbamoyl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(3-methylsulfanylbutylcarbamoyl)morpholine-3-carboxylic acid
PubChem CID113363829
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC Name4-(3-methylsulfanylbutylcarbamoyl)morpholine-3-carboxylic acid
SMILESCSC(C)CCNC(=O)N1CCOCC1C(=O)O
InChIInChI=1S/C11H20N2O4S/c1-8(18-2)3-4-12-11(16)13-5-6-17-7-9(13)10(14)15/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyGFXGKOXDWHQIMG-UHFFFAOYSA-N
XLogP0.62
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-3-(3-methylsulfanylbutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 104867013
4-[(1-methylsulfanylcyclopropyl)methylcarbamoyl]morpholine-3-carboxylic acid
CID 114116894
4-[2-(oxolan-3-yl)ethylcarbamoyl]morpholine-3-carboxylic acid
CID 114131758
4-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]-2-hydroxybutanoic acid
CID 107840814
4-(2-ethylhexylcarbamoyl)morpholine-3-carboxylic acid
CID 103995566
(2S)-1-(3-methylbutylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 28510076
4-[(1-propylcyclopropyl)methylcarbamoyl]morpholine-3-carboxylic acid
CID 113364388
4-(dimethylaminocarbamoyl)morpholine-3-carboxylic acid
CID 83017669
4-[2-(cyclohexen-1-yl)ethylcarbamoyl]morpholine-3-carboxylic acid
CID 103994441
4-(2-propan-2-yloxyacetyl)morpholine-3-carboxylic acid
CID 112555118
4-N-butyl-3-N-propylmorpholine-3,4-dicarboxamide
CID 116657442
4-[(2R)-2-aminopentanoyl]morpholine-3-carboxylic acid
CID 103871081

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylsulfanylbutylcarbamoyl)morpholine-3-carboxylic acid?
The IUPAC name of 4-(3-methylsulfanylbutylcarbamoyl)morpholine-3-carboxylic acid (CID 113363829) is 4-(3-methylsulfanylbutylcarbamoyl)morpholine-3-carboxylic acid.
What is the SMILES notation for 4-(3-methylsulfanylbutylcarbamoyl)morpholine-3-carboxylic acid?
The canonical SMILES for 4-(3-methylsulfanylbutylcarbamoyl)morpholine-3-carboxylic acid is CSC(C)CCNC(=O)N1CCOCC1C(=O)O.
What is the InChIKey of 4-(3-methylsulfanylbutylcarbamoyl)morpholine-3-carboxylic acid?
The InChIKey is GFXGKOXDWHQIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S/c1-8(18-2)3-4-12-11(16)13-5-6-17-7-9(13)10(14)15/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 4-(3-methylsulfanylbutylcarbamoyl)morpholine-3-carboxylic acid?
4-(3-methylsulfanylbutylcarbamoyl)morpholine-3-carboxylic acid has a molecular weight of 276.36 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylsulfanylbutylcarbamoyl)morpholine-3-carboxylic acid is sourced from PubChem (CID 113363829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).