4-methylsulfanyl-2-[(2-morpholin-2-ylacetyl)amino]butanoic acid

C11H20N2O4S — CID 66427872

IUPAC4-methylsulfanyl-2-[(2-morpholin-2-ylacetyl)amino]butanoic acid
SMILESCSCCC(NC(=O)CC1CNCCO1)C(=O)O
InChIInChI=1S/C11H20N2O4S/c1-18-5-2-9(11(15)16)13-10(14)6-8-7-12-3-4-17-8/h8-9,12H,2-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyZYSLLTMWJWEIAK-UHFFFAOYSA-N
MW276.36 g/mol
LogP-0.31
Rot. Bonds7

About 4-methylsulfanyl-2-[(2-morpholin-2-ylacetyl)amino]butanoic acid

4-methylsulfanyl-2-[(2-morpholin-2-ylacetyl)amino]butanoic acid (PubChem CID 66427872) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is 4-methylsulfanyl-2-[(2-morpholin-2-ylacetyl)amino]butanoic acid.

Molecular Properties

Compound Name4-methylsulfanyl-2-[(2-morpholin-2-ylacetyl)amino]butanoic acid
PubChem CID66427872
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC Name4-methylsulfanyl-2-[(2-morpholin-2-ylacetyl)amino]butanoic acid
SMILESCSCCC(NC(=O)CC1CNCCO1)C(=O)O
InChIInChI=1S/C11H20N2O4S/c1-18-5-2-9(11(15)16)13-10(14)6-8-7-12-3-4-17-8/h8-9,12H,2-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyZYSLLTMWJWEIAK-UHFFFAOYSA-N
XLogP-0.31
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylsulfanylbutan-2-yl)-2-morpholin-2-ylacetamide
CID 115740086
(2R)-2-[(2-morpholin-2-ylacetyl)amino]propanoic acid
CID 79036623
(2S)-3,3-dimethyl-2-[(2-morpholin-2-ylacetyl)amino]butanoic acid
CID 66429146
2-cyclopropyl-2-[(2-morpholin-2-ylacetyl)amino]acetic acid
CID 66427040
N-methyl-2-[(2-morpholin-2-ylacetyl)amino]propanamide
CID 66428310
N-[(2S)-1-hydroxybutan-2-yl]-2-morpholin-2-ylacetamide
CID 107222428
N-(2-methylsulfanylpropyl)-2-morpholin-2-ylacetamide
CID 102561586
2-morpholin-2-yl-N-(4-phenylbutan-2-yl)acetamide
CID 66428944
2-[(2-cyclohexylacetyl)amino]-4-methylsulfanylbutanoic acid
CID 43183375
(2S)-4-methylsulfanyl-2-[[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]amino]butanoic acid
CID 126442054
(2S)-2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-4-methylsulfanylbutanoic acid
CID 79607868
4-methylsulfanyl-2-(piperidine-3-carbonylamino)butanoic acid
CID 61158625

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-2-[(2-morpholin-2-ylacetyl)amino]butanoic acid?
The IUPAC name of 4-methylsulfanyl-2-[(2-morpholin-2-ylacetyl)amino]butanoic acid (CID 66427872) is 4-methylsulfanyl-2-[(2-morpholin-2-ylacetyl)amino]butanoic acid.
What is the SMILES notation for 4-methylsulfanyl-2-[(2-morpholin-2-ylacetyl)amino]butanoic acid?
The canonical SMILES for 4-methylsulfanyl-2-[(2-morpholin-2-ylacetyl)amino]butanoic acid is CSCCC(NC(=O)CC1CNCCO1)C(=O)O.
What is the InChIKey of 4-methylsulfanyl-2-[(2-morpholin-2-ylacetyl)amino]butanoic acid?
The InChIKey is ZYSLLTMWJWEIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S/c1-18-5-2-9(11(15)16)13-10(14)6-8-7-12-3-4-17-8/h8-9,12H,2-7H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 4-methylsulfanyl-2-[(2-morpholin-2-ylacetyl)amino]butanoic acid?
4-methylsulfanyl-2-[(2-morpholin-2-ylacetyl)amino]butanoic acid has a molecular weight of 276.36 g/mol, XLogP of -0.31, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-2-[(2-morpholin-2-ylacetyl)amino]butanoic acid is sourced from PubChem (CID 66427872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).