(2S)-4-(3-thiophen-3-ylpropanoyl)morpholine-2-carboxylic acid

C12H15NO4S — CID 124700575

IUPAC(2S)-4-(3-thiophen-3-ylpropanoyl)morpholine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CN(C(=O)CCc2ccsc2)CCO1
InChIInChI=1S/C12H15NO4S/c14-11(2-1-9-3-6-18-8-9)13-4-5-17-10(7-13)12(15)16/h3,6,8,10H,1-2,4-5,7H2,(H,15,16)/t10-/m0/s1
InChIKeyAORQZZCZDQNUQG-JTQLQIEISA-N
MW269.32 g/mol
LogP0.99
Rot. Bonds4

About (2S)-4-(3-thiophen-3-ylpropanoyl)morpholine-2-carboxylic acid

(2S)-4-(3-thiophen-3-ylpropanoyl)morpholine-2-carboxylic acid (PubChem CID 124700575) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is (2S)-4-(3-thiophen-3-ylpropanoyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-(3-thiophen-3-ylpropanoyl)morpholine-2-carboxylic acid
PubChem CID124700575
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name(2S)-4-(3-thiophen-3-ylpropanoyl)morpholine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CN(C(=O)CCc2ccsc2)CCO1
InChIInChI=1S/C12H15NO4S/c14-11(2-1-9-3-6-18-8-9)13-4-5-17-10(7-13)12(15)16/h3,6,8,10H,1-2,4-5,7H2,(H,15,16)/t10-/m0/s1
InChIKeyAORQZZCZDQNUQG-JTQLQIEISA-N
XLogP0.99
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-benzylmorpholin-4-yl]-3-thiophen-3-ylpropan-1-one
CID 25447592
(3S)-1-(3-thiophen-3-ylpropanoyl)piperidine-3-carboxylic acid
CID 119173609
(2S)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]morpholine-2-carboxylic acid
CID 129467091
(2R)-4-[3-[4-(trifluoromethyl)phenyl]propanoyl]morpholine-2-carboxylic acid
CID 124700706
4-[4-(thiophene-3-carbonylamino)butanoyl]morpholine-2-carboxylic acid
CID 119240043
4-[3-(1,3-thiazol-2-yl)propanoyl]morpholine-2-carboxylic acid
CID 119239816
(2S)-4-[3-(3,5-dimethoxyphenyl)propanoyl]morpholine-2-carboxylic acid
CID 125120675
1-(3-aminopyrrolidin-1-yl)-3-thiophen-3-ylpropan-1-one;hydrochloride
CID 119482531
1-[(3S)-3-aminopyrrolidin-1-yl]-3-thiophen-3-ylpropan-1-one;hydrochloride
CID 119934516
(2R)-4-[3-(5-methylfuran-2-yl)propanoyl]morpholine-2-carboxylic acid
CID 124696036
4-[3-(2-aminophenyl)propanoyl]morpholine-2-carboxylic acid
CID 107273042
4-[4-(4-methylphenyl)butanoyl]morpholine-2-carboxylic acid
CID 119238769

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(3-thiophen-3-ylpropanoyl)morpholine-2-carboxylic acid?
The IUPAC name of (2S)-4-(3-thiophen-3-ylpropanoyl)morpholine-2-carboxylic acid (CID 124700575) is (2S)-4-(3-thiophen-3-ylpropanoyl)morpholine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-(3-thiophen-3-ylpropanoyl)morpholine-2-carboxylic acid?
The canonical SMILES for (2S)-4-(3-thiophen-3-ylpropanoyl)morpholine-2-carboxylic acid is O=C(O)[C@@H]1CN(C(=O)CCc2ccsc2)CCO1.
What is the InChIKey of (2S)-4-(3-thiophen-3-ylpropanoyl)morpholine-2-carboxylic acid?
The InChIKey is AORQZZCZDQNUQG-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15NO4S/c14-11(2-1-9-3-6-18-8-9)13-4-5-17-10(7-13)12(15)16/h3,6,8,10H,1-2,4-5,7H2,(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-4-(3-thiophen-3-ylpropanoyl)morpholine-2-carboxylic acid?
(2S)-4-(3-thiophen-3-ylpropanoyl)morpholine-2-carboxylic acid has a molecular weight of 269.32 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(3-thiophen-3-ylpropanoyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 124700575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).