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

C11H16N2O2S — CID 107142925

IUPAC2-[3-[(3-methylthiophen-2-yl)methylamino]azetidin-3-yl]acetic acid
SMILESCc1ccsc1CNC1(CC(=O)O)CNC1
InChIInChI=1S/C11H16N2O2S/c1-8-2-3-16-9(8)5-13-11(4-10(14)15)6-12-7-11/h2-3,12-13H,4-7H2,1H3,(H,14,15)
InChIKeyFDLWRQBIVSYHQL-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.96
Rot. Bonds5

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

2-[3-[(3-methylthiophen-2-yl)methylamino]azetidin-3-yl]acetic acid (PubChem CID 107142925) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-[3-[(3-methylthiophen-2-yl)methylamino]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(3-methylthiophen-2-yl)methylamino]azetidin-3-yl]acetic acid
PubChem CID107142925
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name2-[3-[(3-methylthiophen-2-yl)methylamino]azetidin-3-yl]acetic acid
SMILESCc1ccsc1CNC1(CC(=O)O)CNC1
InChIInChI=1S/C11H16N2O2S/c1-8-2-3-16-9(8)5-13-11(4-10(14)15)6-12-7-11/h2-3,12-13H,4-7H2,1H3,(H,14,15)
InChIKeyFDLWRQBIVSYHQL-UHFFFAOYSA-N
XLogP0.96
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(4-bromophenyl)methylamino]azetidin-3-yl]acetic acid
CID 107142225
4-[(3-methylthiophen-2-yl)methylamino]butanoic acid
CID 51888577
5-[(3-methylthiophen-2-yl)methylamino]pentanoic acid
CID 103259614
N-[(3-methylthiophen-2-yl)methyl]piperazine-1-carboxamide
CID 115171574
N-[(3-methylthiophen-2-yl)methyl]adamantan-1-amine chloride
CID 53350965
2-[3-(pyridazin-3-ylmethylamino)azetidin-3-yl]acetic acid
CID 107143252
2-[3-[2-(4-fluoro-2-methylphenyl)ethylamino]azetidin-3-yl]acetic acid
CID 107142864
2-[3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]azetidin-3-yl]acetic acid
CID 107142608
N-[(3-methylthiophen-2-yl)methyl]adamantane-1-carboxamide
CID 32958884
2-[3-(2-phenylpropylamino)azetidin-3-yl]acetic acid
CID 107143104
2-(3-methylazetidin-3-yl)oxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 102657001
2-[3-(thiophen-3-ylamino)azetidin-3-yl]acetic acid
CID 107142827

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-methylthiophen-2-yl)methylamino]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-[(3-methylthiophen-2-yl)methylamino]azetidin-3-yl]acetic acid (CID 107142925) is 2-[3-[(3-methylthiophen-2-yl)methylamino]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-[(3-methylthiophen-2-yl)methylamino]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-[(3-methylthiophen-2-yl)methylamino]azetidin-3-yl]acetic acid is Cc1ccsc1CNC1(CC(=O)O)CNC1.
What is the InChIKey of 2-[3-[(3-methylthiophen-2-yl)methylamino]azetidin-3-yl]acetic acid?
The InChIKey is FDLWRQBIVSYHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-8-2-3-16-9(8)5-13-11(4-10(14)15)6-12-7-11/h2-3,12-13H,4-7H2,1H3,(H,14,15).
What are the key properties of 2-[3-[(3-methylthiophen-2-yl)methylamino]azetidin-3-yl]acetic acid?
2-[3-[(3-methylthiophen-2-yl)methylamino]azetidin-3-yl]acetic acid has a molecular weight of 240.33 g/mol, XLogP of 0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-methylthiophen-2-yl)methylamino]azetidin-3-yl]acetic acid is sourced from PubChem (CID 107142925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).