2-[(2S)-4-[3-(4-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]acetic acid

C13H16ClNO4S — CID 124702416

IUPAC2-[(2S)-4-[3-(4-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]acetic acid
SMILESO=C(O)C[C@H]1CN(C(=O)CCc2cc(Cl)cs2)CCO1
InChIInChI=1S/C13H16ClNO4S/c14-9-5-11(20-8-9)1-2-12(16)15-3-4-19-10(7-15)6-13(17)18/h5,8,10H,1-4,6-7H2,(H,17,18)/t10-/m0/s1
InChIKeyBPBLLZLTLDBLGE-JTQLQIEISA-N
MW317.79 g/mol
LogP2.04
Rot. Bonds5

About 2-[(2S)-4-[3-(4-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]acetic acid

2-[(2S)-4-[3-(4-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]acetic acid (PubChem CID 124702416) has the molecular formula C13H16ClNO4S and a molecular weight of 317.79 g/mol. Its IUPAC name is 2-[(2S)-4-[3-(4-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S)-4-[3-(4-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]acetic acid
PubChem CID124702416
Molecular FormulaC13H16ClNO4S
Molecular Weight317.79 g/mol
Exact Mass317.05
IUPAC Name2-[(2S)-4-[3-(4-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]acetic acid
SMILESO=C(O)C[C@H]1CN(C(=O)CCc2cc(Cl)cs2)CCO1
InChIInChI=1S/C13H16ClNO4S/c14-9-5-11(20-8-9)1-2-12(16)15-3-4-19-10(7-15)6-13(17)18/h5,8,10H,1-4,6-7H2,(H,17,18)/t10-/m0/s1
InChIKeyBPBLLZLTLDBLGE-JTQLQIEISA-N
XLogP2.04
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.79
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2S)-4-[3-(4-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]acetic 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

2-[4-(3-thiophen-2-ylpropanoyl)morpholin-2-yl]acetic acid
CID 66421747
2-[4-[3-(2-bromo-5-chlorophenyl)propanoyl]morpholin-2-yl]acetic acid
CID 120687853
2-[4-[3-(1,3-thiazol-2-yl)propanoyl]morpholin-2-yl]acetic acid
CID 119248715
2-[4-(3-phenylpropanoyl)morpholin-2-yl]acetic acid
CID 66422337
2-[4-[3-(2,4-dimethylphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 119248342
2-[4-[3-(3,5-dimethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 119248324
2-[4-[4-(2-methyl-1,3-thiazol-4-yl)butanoyl]morpholin-2-yl]acetic acid
CID 120527590
2-[(2S)-4-[4-(3,4-difluorophenyl)butanoyl]morpholin-2-yl]acetic acid
CID 124702410
3-(4-chlorothiophen-2-yl)-1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]propan-1-one
CID 124589955
3-(4-chlorothiophen-2-yl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one
CID 120995039
2-[(2R)-4-[3-(1-benzofuran-2-yl)propanoyl]morpholin-2-yl]acetic acid
CID 125150468
2-[4-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]morpholin-2-yl]acetic acid
CID 119247502

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-[3-(4-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2S)-4-[3-(4-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]acetic acid (CID 124702416) is 2-[(2S)-4-[3-(4-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2S)-4-[3-(4-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2S)-4-[3-(4-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]acetic acid is O=C(O)C[C@H]1CN(C(=O)CCc2cc(Cl)cs2)CCO1.
What is the InChIKey of 2-[(2S)-4-[3-(4-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]acetic acid?
The InChIKey is BPBLLZLTLDBLGE-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16ClNO4S/c14-9-5-11(20-8-9)1-2-12(16)15-3-4-19-10(7-15)6-13(17)18/h5,8,10H,1-4,6-7H2,(H,17,18)/t10-/m0/s1.
What are the key properties of 2-[(2S)-4-[3-(4-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]acetic acid?
2-[(2S)-4-[3-(4-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]acetic acid has a molecular weight of 317.79 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-[3-(4-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 124702416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).