2-cyclopropyl-2-[(4-methylthiophen-3-yl)methylamino]acetic acid

C11H15NO2S — CID 103258667

IUPAC2-cyclopropyl-2-[(4-methylthiophen-3-yl)methylamino]acetic acid
SMILESCc1cscc1CNC(C(=O)O)C1CC1
InChIInChI=1S/C11H15NO2S/c1-7-5-15-6-9(7)4-12-10(11(13)14)8-2-3-8/h5-6,8,10,12H,2-4H2,1H3,(H,13,14)
InChIKeyCMIOIOJOFLCEFF-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.01
Rot. Bonds5

About 2-cyclopropyl-2-[(4-methylthiophen-3-yl)methylamino]acetic acid

2-cyclopropyl-2-[(4-methylthiophen-3-yl)methylamino]acetic acid (PubChem CID 103258667) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(4-methylthiophen-3-yl)methylamino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(4-methylthiophen-3-yl)methylamino]acetic acid
PubChem CID103258667
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name2-cyclopropyl-2-[(4-methylthiophen-3-yl)methylamino]acetic acid
SMILESCc1cscc1CNC(C(=O)O)C1CC1
InChIInChI=1S/C11H15NO2S/c1-7-5-15-6-9(7)4-12-10(11(13)14)8-2-3-8/h5-6,8,10,12H,2-4H2,1H3,(H,13,14)
InChIKeyCMIOIOJOFLCEFF-UHFFFAOYSA-N
XLogP2.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(4-methylthiophen-3-yl)methylamino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(4-methylthiophen-3-yl)methylamino]acetic acid (CID 103258667) is 2-cyclopropyl-2-[(4-methylthiophen-3-yl)methylamino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(4-methylthiophen-3-yl)methylamino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(4-methylthiophen-3-yl)methylamino]acetic acid is Cc1cscc1CNC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(4-methylthiophen-3-yl)methylamino]acetic acid?
The InChIKey is CMIOIOJOFLCEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-7-5-15-6-9(7)4-12-10(11(13)14)8-2-3-8/h5-6,8,10,12H,2-4H2,1H3,(H,13,14).
What are the key properties of 2-cyclopropyl-2-[(4-methylthiophen-3-yl)methylamino]acetic acid?
2-cyclopropyl-2-[(4-methylthiophen-3-yl)methylamino]acetic acid has a molecular weight of 225.31 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(4-methylthiophen-3-yl)methylamino]acetic acid is sourced from PubChem (CID 103258667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).