(2S)-2-[(5-chlorothiophen-2-yl)methoxy]propanoic acid

C8H9ClO3S — CID 104876424

IUPAC(2S)-2-[(5-chlorothiophen-2-yl)methoxy]propanoic acid
SMILESC[C@H](OCc1ccc(Cl)s1)C(=O)O
InChIInChI=1S/C8H9ClO3S/c1-5(8(10)11)12-4-6-2-3-7(9)13-6/h2-3,5H,4H2,1H3,(H,10,11)/t5-/m0/s1
InChIKeyRNCJMZJDUFKYIU-YFKPBYRVSA-N
MW220.68 g/mol
LogP2.39
Rot. Bonds4

About (2S)-2-[(5-chlorothiophen-2-yl)methoxy]propanoic acid

(2S)-2-[(5-chlorothiophen-2-yl)methoxy]propanoic acid (PubChem CID 104876424) has the molecular formula C8H9ClO3S and a molecular weight of 220.68 g/mol. Its IUPAC name is (2S)-2-[(5-chlorothiophen-2-yl)methoxy]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(5-chlorothiophen-2-yl)methoxy]propanoic acid
PubChem CID104876424
Molecular FormulaC8H9ClO3S
Molecular Weight220.68 g/mol
Exact Mass220.00
IUPAC Name(2S)-2-[(5-chlorothiophen-2-yl)methoxy]propanoic acid
SMILESC[C@H](OCc1ccc(Cl)s1)C(=O)O
InChIInChI=1S/C8H9ClO3S/c1-5(8(10)11)12-4-6-2-3-7(9)13-6/h2-3,5H,4H2,1H3,(H,10,11)/t5-/m0/s1
InChIKeyRNCJMZJDUFKYIU-YFKPBYRVSA-N
XLogP2.39
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.68
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(5-bromothiophen-2-yl)methoxy]propanoic acid
CID 104875968
tert-butyl (5-chlorothiophen-2-yl)methyl carbonate
CID 175192164
2-[(2-chlorophenyl)methoxy]propanoic acid
CID 24699510
2-[(5-chlorothiophen-2-yl)methylsulfinyl]-3-methylbutanoic acid
CID 105355772
(2S)-2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]propanamide
CID 103630177
(2R)-2-[[2-(5-chlorothiophen-2-yl)acetyl]amino]propanoic acid
CID 98015763
1-(5-chlorothiophen-2-yl)-2-(furan-2-ylmethoxy)propan-1-one
CID 62031723
2-acetamido-3-[2-(5-chlorothiophen-2-yl)ethylamino]propanoic acid
CID 106036805
2-chloro-5-(phenoxymethyl)thiophene
CID 60655556
methyl 4-[(5-chlorothiophen-2-yl)methoxy]benzoate
CID 55372452
3-[2-(5-chlorothiophen-2-yl)ethylamino]butanoic acid
CID 106036883
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(2-ethoxyethoxy)propanamide
CID 51089322

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-chlorothiophen-2-yl)methoxy]propanoic acid?
The IUPAC name of (2S)-2-[(5-chlorothiophen-2-yl)methoxy]propanoic acid (CID 104876424) is (2S)-2-[(5-chlorothiophen-2-yl)methoxy]propanoic acid.
What is the SMILES notation for (2S)-2-[(5-chlorothiophen-2-yl)methoxy]propanoic acid?
The canonical SMILES for (2S)-2-[(5-chlorothiophen-2-yl)methoxy]propanoic acid is C[C@H](OCc1ccc(Cl)s1)C(=O)O.
What is the InChIKey of (2S)-2-[(5-chlorothiophen-2-yl)methoxy]propanoic acid?
The InChIKey is RNCJMZJDUFKYIU-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H9ClO3S/c1-5(8(10)11)12-4-6-2-3-7(9)13-6/h2-3,5H,4H2,1H3,(H,10,11)/t5-/m0/s1.
What are the key properties of (2S)-2-[(5-chlorothiophen-2-yl)methoxy]propanoic acid?
(2S)-2-[(5-chlorothiophen-2-yl)methoxy]propanoic acid has a molecular weight of 220.68 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-chlorothiophen-2-yl)methoxy]propanoic acid is sourced from PubChem (CID 104876424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).