2-[5-[[(3-ethoxycyclobutyl)amino]methyl]thiophen-2-yl]acetic acid

C13H19NO3S — CID 114118777

IUPAC2-[5-[[(3-ethoxycyclobutyl)amino]methyl]thiophen-2-yl]acetic acid
SMILESCCOC1CC(NCc2ccc(CC(=O)O)s2)C1
InChIInChI=1S/C13H19NO3S/c1-2-17-10-5-9(6-10)14-8-12-4-3-11(18-12)7-13(15)16/h3-4,9-10,14H,2,5-8H2,1H3,(H,15,16)
InChIKeySLAJOKWJDCQNOE-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.03
Rot. Bonds7

About 2-[5-[[(3-ethoxycyclobutyl)amino]methyl]thiophen-2-yl]acetic acid

2-[5-[[(3-ethoxycyclobutyl)amino]methyl]thiophen-2-yl]acetic acid (PubChem CID 114118777) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-[5-[[(3-ethoxycyclobutyl)amino]methyl]thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[[(3-ethoxycyclobutyl)amino]methyl]thiophen-2-yl]acetic acid
PubChem CID114118777
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name2-[5-[[(3-ethoxycyclobutyl)amino]methyl]thiophen-2-yl]acetic acid
SMILESCCOC1CC(NCc2ccc(CC(=O)O)s2)C1
InChIInChI=1S/C13H19NO3S/c1-2-17-10-5-9(6-10)14-8-12-4-3-11(18-12)7-13(15)16/h3-4,9-10,14H,2,5-8H2,1H3,(H,15,16)
InChIKeySLAJOKWJDCQNOE-UHFFFAOYSA-N
XLogP2.03
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-N-[(5-nitrothiophen-2-yl)methyl]cyclobutan-1-amine
CID 102610271
2-[5-[[(4-methylcyclohexyl)amino]methyl]thiophen-2-yl]acetic acid
CID 82894323
2-[5-[[(1-propylpiperidin-4-yl)amino]methyl]thiophen-2-yl]acetic acid
CID 82894407
2-[5-[(ethoxyamino)methyl]thiophen-2-yl]acetic acid
CID 82885844
4-[[(3-ethoxycyclobutyl)amino]methyl]-N-methylbenzamide
CID 112553050
methyl 2-[5-[(cyclohexylamino)methyl]thiophen-2-yl]acetate
CID 82894760
2-[5-[[(6-ethoxy-3-pyridinyl)amino]methyl]thiophen-2-yl]acetic acid
CID 82885833
2-[[3-[(5-bromothiophen-2-yl)methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042225
2-[(3-ethoxycyclobutyl)amino]-N-phenylacetamide
CID 103921112
2-[5-[[[(1R)-1-cyclohexylethyl]amino]methyl]thiophen-2-yl]acetic acid
CID 82887623
2-[5-[[(1-methylpiperidin-4-yl)methylamino]methyl]thiophen-2-yl]acetic acid
CID 82894801
N-(1-benzofuran-3-ylmethyl)-3-ethoxycyclobutan-1-amine
CID 103917742

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[(3-ethoxycyclobutyl)amino]methyl]thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-[[(3-ethoxycyclobutyl)amino]methyl]thiophen-2-yl]acetic acid (CID 114118777) is 2-[5-[[(3-ethoxycyclobutyl)amino]methyl]thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[[(3-ethoxycyclobutyl)amino]methyl]thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-[[(3-ethoxycyclobutyl)amino]methyl]thiophen-2-yl]acetic acid is CCOC1CC(NCc2ccc(CC(=O)O)s2)C1.
What is the InChIKey of 2-[5-[[(3-ethoxycyclobutyl)amino]methyl]thiophen-2-yl]acetic acid?
The InChIKey is SLAJOKWJDCQNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-2-17-10-5-9(6-10)14-8-12-4-3-11(18-12)7-13(15)16/h3-4,9-10,14H,2,5-8H2,1H3,(H,15,16).
What are the key properties of 2-[5-[[(3-ethoxycyclobutyl)amino]methyl]thiophen-2-yl]acetic acid?
2-[5-[[(3-ethoxycyclobutyl)amino]methyl]thiophen-2-yl]acetic acid has a molecular weight of 269.37 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[(3-ethoxycyclobutyl)amino]methyl]thiophen-2-yl]acetic acid is sourced from PubChem (CID 114118777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).