(2S)-4-(thiophen-2-ylmethyl)morpholine-2-carboxylic acid

C10H13NO3S — CID 51441027

IUPAC(2S)-4-(thiophen-2-ylmethyl)morpholine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CN(Cc2cccs2)CCO1
InChIInChI=1S/C10H13NO3S/c12-10(13)9-7-11(3-4-14-9)6-8-2-1-5-15-8/h1-2,5,9H,3-4,6-7H2,(H,12,13)/t9-/m0/s1
InChIKeyIEOHUEJXQTUKTI-VIFPVBQESA-N
MW227.28 g/mol
LogP1.03
Rot. Bonds3

About (2S)-4-(thiophen-2-ylmethyl)morpholine-2-carboxylic acid

(2S)-4-(thiophen-2-ylmethyl)morpholine-2-carboxylic acid (PubChem CID 51441027) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is (2S)-4-(thiophen-2-ylmethyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-(thiophen-2-ylmethyl)morpholine-2-carboxylic acid
PubChem CID51441027
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name(2S)-4-(thiophen-2-ylmethyl)morpholine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CN(Cc2cccs2)CCO1
InChIInChI=1S/C10H13NO3S/c12-10(13)9-7-11(3-4-14-9)6-8-2-1-5-15-8/h1-2,5,9H,3-4,6-7H2,(H,12,13)/t9-/m0/s1
InChIKeyIEOHUEJXQTUKTI-VIFPVBQESA-N
XLogP1.03
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-[[5-(2-methylpropyl)thiophen-2-yl]methyl]morpholine-2-carboxylic acid
CID 164642156
1-Isopropoxy-3-[(2-methoxyethyl)(2-thienylmethyl)amino]-2-propanol
CID 24713890
methyl (6R)-4-[(3-bromothiophen-2-yl)methyl]-6-ethenylmorpholine-2-carboxylate
CID 167279696
[4,5-Diacetyloxy-1-(thiophen-2-ylmethyl)piperidin-3-yl] acetate
CID 167524772
4-(Thiophen-2-ylmethyl)morpholine-2-carboxylic acid
CID 16243997
[2-Hydroxy-3-[2-methoxyethyl(thiophen-2-ylmethyl)amino]propyl] butanoate
CID 42682200
3-[Cyclopropyl(2-thienylmethyl)amino]-2-hydroxypropyl butyrate
CID 42682360
(2R)-4-(thiophen-2-ylmethyl)morpholine-2-carboxylic acid
CID 51441029
2-[2-Oxo-2-[propan-2-yl(thiophen-2-ylmethyl)amino]ethoxy]acetic acid
CID 54946707
2-Ethoxy-4-[methyl(thiophen-2-ylmethyl)amino]butanoic acid
CID 55145753
3-[Cyclopropyl(thiophen-2-ylmethyl)amino]-2-ethoxypropanoic acid
CID 55146140
2-Ethoxy-3-[methyl(1-thiophen-2-ylethyl)amino]propanoic acid
CID 55147094

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(thiophen-2-ylmethyl)morpholine-2-carboxylic acid?
The IUPAC name of (2S)-4-(thiophen-2-ylmethyl)morpholine-2-carboxylic acid (CID 51441027) is (2S)-4-(thiophen-2-ylmethyl)morpholine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-(thiophen-2-ylmethyl)morpholine-2-carboxylic acid?
The canonical SMILES for (2S)-4-(thiophen-2-ylmethyl)morpholine-2-carboxylic acid is O=C(O)[C@@H]1CN(Cc2cccs2)CCO1.
What is the InChIKey of (2S)-4-(thiophen-2-ylmethyl)morpholine-2-carboxylic acid?
The InChIKey is IEOHUEJXQTUKTI-VIFPVBQESA-N. The full InChI is InChI=1S/C10H13NO3S/c12-10(13)9-7-11(3-4-14-9)6-8-2-1-5-15-8/h1-2,5,9H,3-4,6-7H2,(H,12,13)/t9-/m0/s1.
What are the key properties of (2S)-4-(thiophen-2-ylmethyl)morpholine-2-carboxylic acid?
(2S)-4-(thiophen-2-ylmethyl)morpholine-2-carboxylic acid has a molecular weight of 227.28 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(thiophen-2-ylmethyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 51441027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).