2-[3-[(2-methyl-2-thiophen-2-ylpropyl)amino]azetidin-3-yl]acetic acid

C13H20N2O2S — CID 107142876

IUPAC2-[3-[(2-methyl-2-thiophen-2-ylpropyl)amino]azetidin-3-yl]acetic acid
SMILESCC(C)(CNC1(CC(=O)O)CNC1)c1cccs1
InChIInChI=1S/C13H20N2O2S/c1-12(2,10-4-3-5-18-10)7-15-13(6-11(16)17)8-14-9-13/h3-5,14-15H,6-9H2,1-2H3,(H,16,17)
InChIKeyOTPHMAJZDOAXOU-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.43
Rot. Bonds6

About 2-[3-[(2-methyl-2-thiophen-2-ylpropyl)amino]azetidin-3-yl]acetic acid

2-[3-[(2-methyl-2-thiophen-2-ylpropyl)amino]azetidin-3-yl]acetic acid (PubChem CID 107142876) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-[3-[(2-methyl-2-thiophen-2-ylpropyl)amino]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(2-methyl-2-thiophen-2-ylpropyl)amino]azetidin-3-yl]acetic acid
PubChem CID107142876
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-[3-[(2-methyl-2-thiophen-2-ylpropyl)amino]azetidin-3-yl]acetic acid
SMILESCC(C)(CNC1(CC(=O)O)CNC1)c1cccs1
InChIInChI=1S/C13H20N2O2S/c1-12(2,10-4-3-5-18-10)7-15-13(6-11(16)17)8-14-9-13/h3-5,14-15H,6-9H2,1-2H3,(H,16,17)
InChIKeyOTPHMAJZDOAXOU-UHFFFAOYSA-N
XLogP1.43
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-(2-methyl-2-thiophen-2-ylpropyl)piperidine-4-carboxamide
CID 80527342
2,2-dimethyl-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]-3-oxopropanoic acid
CID 82821603
3,3-dimethyl-4-[(2-methyl-2-thiophen-2-ylpropyl)amino]butanoic acid
CID 115220479
2-[3-[(3-methylthiophen-2-yl)methylamino]azetidin-3-yl]acetic acid
CID 107142925
4-amino-2,2-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)butanamide
CID 115157160
2-(1-aminocyclobutyl)-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide
CID 80527308
4-[(2-methyl-2-thiophen-2-ylpropyl)amino]benzoic acid
CID 80528287
3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119945485
N-(2-methyl-2-thiophen-2-ylpropyl)piperidine-4-carboxamide
CID 80527272
4-[(2-methyl-2-thiophen-2-ylpropyl)carbamoyl]benzoic acid
CID 80524374
1-amino-N-(2-methyl-2-thiophen-2-ylpropyl)cyclopentane-1-carboxamide;hydrochloride
CID 119325984
N-(2-methyl-2-thiophen-2-ylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107032820

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-methyl-2-thiophen-2-ylpropyl)amino]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-[(2-methyl-2-thiophen-2-ylpropyl)amino]azetidin-3-yl]acetic acid (CID 107142876) is 2-[3-[(2-methyl-2-thiophen-2-ylpropyl)amino]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-[(2-methyl-2-thiophen-2-ylpropyl)amino]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-[(2-methyl-2-thiophen-2-ylpropyl)amino]azetidin-3-yl]acetic acid is CC(C)(CNC1(CC(=O)O)CNC1)c1cccs1.
What is the InChIKey of 2-[3-[(2-methyl-2-thiophen-2-ylpropyl)amino]azetidin-3-yl]acetic acid?
The InChIKey is OTPHMAJZDOAXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-12(2,10-4-3-5-18-10)7-15-13(6-11(16)17)8-14-9-13/h3-5,14-15H,6-9H2,1-2H3,(H,16,17).
What are the key properties of 2-[3-[(2-methyl-2-thiophen-2-ylpropyl)amino]azetidin-3-yl]acetic acid?
2-[3-[(2-methyl-2-thiophen-2-ylpropyl)amino]azetidin-3-yl]acetic acid has a molecular weight of 268.38 g/mol, XLogP of 1.43, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-methyl-2-thiophen-2-ylpropyl)amino]azetidin-3-yl]acetic acid is sourced from PubChem (CID 107142876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).