(2S)-2-methoxy-2-(2-methyl-3H-thiophen-2-yl)acetic acid

C8H12O3S — CID 167015604

IUPAC(2S)-2-methoxy-2-(2-methyl-3H-thiophen-2-yl)acetic acid
SMILESCO[C@@H](C(=O)O)C1(C)CC=CS1
InChIInChI=1S/C8H12O3S/c1-8(4-3-5-12-8)6(11-2)7(9)10/h3,5-6H,4H2,1-2H3,(H,9,10)/t6-,8?/m0/s1
InChIKeyPLRVXPFRXYSOTM-UUEFVBAFSA-N
MW188.25 g/mol
LogP1.50
Rot. Bonds3

About (2S)-2-methoxy-2-(2-methyl-3H-thiophen-2-yl)acetic acid

(2S)-2-methoxy-2-(2-methyl-3H-thiophen-2-yl)acetic acid (PubChem CID 167015604) has the molecular formula C8H12O3S and a molecular weight of 188.25 g/mol. Its IUPAC name is (2S)-2-methoxy-2-(2-methyl-3H-thiophen-2-yl)acetic acid.

Molecular Properties

Compound Name(2S)-2-methoxy-2-(2-methyl-3H-thiophen-2-yl)acetic acid
PubChem CID167015604
Molecular FormulaC8H12O3S
Molecular Weight188.25 g/mol
Exact Mass188.05
IUPAC Name(2S)-2-methoxy-2-(2-methyl-3H-thiophen-2-yl)acetic acid
SMILESCO[C@@H](C(=O)O)C1(C)CC=CS1
InChIInChI=1S/C8H12O3S/c1-8(4-3-5-12-8)6(11-2)7(9)10/h3,5-6H,4H2,1-2H3,(H,9,10)/t6-,8?/m0/s1
InChIKeyPLRVXPFRXYSOTM-UUEFVBAFSA-N
XLogP1.50
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-2-(2-methyl-3H-thiophen-2-yl)acetic acid?
The IUPAC name of (2S)-2-methoxy-2-(2-methyl-3H-thiophen-2-yl)acetic acid (CID 167015604) is (2S)-2-methoxy-2-(2-methyl-3H-thiophen-2-yl)acetic acid.
What is the SMILES notation for (2S)-2-methoxy-2-(2-methyl-3H-thiophen-2-yl)acetic acid?
The canonical SMILES for (2S)-2-methoxy-2-(2-methyl-3H-thiophen-2-yl)acetic acid is CO[C@@H](C(=O)O)C1(C)CC=CS1.
What is the InChIKey of (2S)-2-methoxy-2-(2-methyl-3H-thiophen-2-yl)acetic acid?
The InChIKey is PLRVXPFRXYSOTM-UUEFVBAFSA-N. The full InChI is InChI=1S/C8H12O3S/c1-8(4-3-5-12-8)6(11-2)7(9)10/h3,5-6H,4H2,1-2H3,(H,9,10)/t6-,8?/m0/s1.
What are the key properties of (2S)-2-methoxy-2-(2-methyl-3H-thiophen-2-yl)acetic acid?
(2S)-2-methoxy-2-(2-methyl-3H-thiophen-2-yl)acetic acid has a molecular weight of 188.25 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-2-(2-methyl-3H-thiophen-2-yl)acetic acid is sourced from PubChem (CID 167015604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).