2-(dimethylamino)-2-(5-methylthiophen-3-yl)acetic acid

C9H13NO2S — CID 131031436

IUPAC2-(dimethylamino)-2-(5-methylthiophen-3-yl)acetic acid
SMILESCc1cc(C(C(=O)O)N(C)C)cs1
InChIInChI=1S/C9H13NO2S/c1-6-4-7(5-13-6)8(9(11)12)10(2)3/h4-5,8H,1-3H3,(H,11,12)
InChIKeyFCQQRJKRVLPWIU-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.74
Rot. Bonds3

About 2-(dimethylamino)-2-(5-methylthiophen-3-yl)acetic acid

2-(dimethylamino)-2-(5-methylthiophen-3-yl)acetic acid (PubChem CID 131031436) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(5-methylthiophen-3-yl)acetic acid.

Molecular Properties

Compound Name2-(dimethylamino)-2-(5-methylthiophen-3-yl)acetic acid
PubChem CID131031436
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC Name2-(dimethylamino)-2-(5-methylthiophen-3-yl)acetic acid
SMILESCc1cc(C(C(=O)O)N(C)C)cs1
InChIInChI=1S/C9H13NO2S/c1-6-4-7(5-13-6)8(9(11)12)10(2)3/h4-5,8H,1-3H3,(H,11,12)
InChIKeyFCQQRJKRVLPWIU-UHFFFAOYSA-N
XLogP1.74
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(5-methylthiophen-3-yl)acetic acid?
The IUPAC name of 2-(dimethylamino)-2-(5-methylthiophen-3-yl)acetic acid (CID 131031436) is 2-(dimethylamino)-2-(5-methylthiophen-3-yl)acetic acid.
What is the SMILES notation for 2-(dimethylamino)-2-(5-methylthiophen-3-yl)acetic acid?
The canonical SMILES for 2-(dimethylamino)-2-(5-methylthiophen-3-yl)acetic acid is Cc1cc(C(C(=O)O)N(C)C)cs1.
What is the InChIKey of 2-(dimethylamino)-2-(5-methylthiophen-3-yl)acetic acid?
The InChIKey is FCQQRJKRVLPWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-6-4-7(5-13-6)8(9(11)12)10(2)3/h4-5,8H,1-3H3,(H,11,12).
What are the key properties of 2-(dimethylamino)-2-(5-methylthiophen-3-yl)acetic acid?
2-(dimethylamino)-2-(5-methylthiophen-3-yl)acetic acid has a molecular weight of 199.27 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(5-methylthiophen-3-yl)acetic acid is sourced from PubChem (CID 131031436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).