4-[(2S,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]butanoic acid

C13H19NO3S — CID 124729091

IUPAC4-[(2S,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]butanoic acid
SMILESC[C@H]1CN(CCCC(=O)O)C[C@@H](c2ccsc2)O1
InChIInChI=1S/C13H19NO3S/c1-10-7-14(5-2-3-13(15)16)8-12(17-10)11-4-6-18-9-11/h4,6,9-10,12H,2-3,5,7-8H2,1H3,(H,15,16)/t10-,12-/m0/s1
InChIKeyFRBGXYYTQFQZQG-JQWIXIFHSA-N
MW269.37 g/mol
LogP2.37
Rot. Bonds5

About 4-[(2S,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]butanoic acid

4-[(2S,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]butanoic acid (PubChem CID 124729091) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-[(2S,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]butanoic acid.

Molecular Properties

Compound Name4-[(2S,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]butanoic acid
PubChem CID124729091
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name4-[(2S,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]butanoic acid
SMILESC[C@H]1CN(CCCC(=O)O)C[C@@H](c2ccsc2)O1
InChIInChI=1S/C13H19NO3S/c1-10-7-14(5-2-3-13(15)16)8-12(17-10)11-4-6-18-9-11/h4,6,9-10,12H,2-3,5,7-8H2,1H3,(H,15,16)/t10-,12-/m0/s1
InChIKeyFRBGXYYTQFQZQG-JQWIXIFHSA-N
XLogP2.37
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(2S,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]butanoic 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

4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanoic acid
CID 27351748
3-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]propanoic acid
CID 125130229
1-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)ethanone
CID 167980764
3-[(2S,6S)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]propanoic acid
CID 129433226
3-[(2R,6S)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]propanoic acid
CID 129415173
2-(methylamino)-1-[(2R,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]ethanone
CID 124686454
(2S)-1-[(2R,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]hex-5-en-2-ol
CID 125131294
N-cyclopropyl-3-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]propanamide
CID 94823090
2-(1,3-dioxan-2-yl)-1-[(2S,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]ethanone
CID 125140010
2-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]acetic acid
CID 100637021
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoic acid
CID 7258532
2-amino-3-methyl-1-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)pentan-1-one
CID 119810944

Frequently Asked Questions

What is the IUPAC name of 4-[(2S,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]butanoic acid?
The IUPAC name of 4-[(2S,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]butanoic acid (CID 124729091) is 4-[(2S,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]butanoic acid.
What is the SMILES notation for 4-[(2S,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]butanoic acid?
The canonical SMILES for 4-[(2S,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]butanoic acid is C[C@H]1CN(CCCC(=O)O)C[C@@H](c2ccsc2)O1.
What is the InChIKey of 4-[(2S,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]butanoic acid?
The InChIKey is FRBGXYYTQFQZQG-JQWIXIFHSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-10-7-14(5-2-3-13(15)16)8-12(17-10)11-4-6-18-9-11/h4,6,9-10,12H,2-3,5,7-8H2,1H3,(H,15,16)/t10-,12-/m0/s1.
What are the key properties of 4-[(2S,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]butanoic acid?
4-[(2S,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]butanoic acid has a molecular weight of 269.37 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]butanoic acid is sourced from PubChem (CID 124729091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).