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

C15H25NO2S — CID 102903995

IUPAC2-[5-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]thiophen-2-yl]acetic acid
SMILESCC(C)C(CNCc1ccc(CC(=O)O)s1)C(C)C
InChIInChI=1S/C15H25NO2S/c1-10(2)14(11(3)4)9-16-8-13-6-5-12(19-13)7-15(17)18/h5-6,10-11,14,16H,7-9H2,1-4H3,(H,17,18)
InChIKeyARIWGEPPMJVTFG-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.39
Rot. Bonds8

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

2-[5-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]thiophen-2-yl]acetic acid (PubChem CID 102903995) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 2-[5-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]thiophen-2-yl]acetic acid
PubChem CID102903995
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name2-[5-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]thiophen-2-yl]acetic acid
SMILESCC(C)C(CNCc1ccc(CC(=O)O)s1)C(C)C
InChIInChI=1S/C15H25NO2S/c1-10(2)14(11(3)4)9-16-8-13-6-5-12(19-13)7-15(17)18/h5-6,10-11,14,16H,7-9H2,1-4H3,(H,17,18)
InChIKeyARIWGEPPMJVTFG-UHFFFAOYSA-N
XLogP3.39
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]thiophen-2-yl]acetic acid
CID 82893950
2-[5-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]thiophen-2-yl]acetic acid
CID 82894664
2-[5-[[2-[di(propan-2-yl)amino]ethylamino]methyl]thiophen-2-yl]acetic acid
CID 82894031
N-[(5-chlorothiophen-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904677
2-[5-[[(2-amino-2-oxoethyl)amino]methyl]thiophen-2-yl]acetic acid
CID 82894390
2-[5-[[(5-chlorothiophen-2-yl)methylamino]methyl]thiophen-2-yl]acetic acid
CID 82894964
N-[(5-tert-butylthiophen-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904213
methyl 2-[5-[[[(2S)-2-hydroxypropyl]amino]methyl]thiophen-2-yl]acetate
CID 103923824
2-[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]methyl]thiophen-2-yl]acetic acid
CID 107250155
2-[5-[(thiophen-2-ylmethylamino)methyl]thiophen-2-yl]acetic acid
CID 82894113
2-[5-[(3,3,3-trifluoropropylamino)methyl]thiophen-2-yl]acetic acid
CID 82894882
2-[5-[[(2-methoxy-2-methylpropyl)amino]methyl]thiophen-2-yl]acetic acid
CID 113450026

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]thiophen-2-yl]acetic acid (CID 102903995) is 2-[5-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]thiophen-2-yl]acetic acid is CC(C)C(CNCc1ccc(CC(=O)O)s1)C(C)C.
What is the InChIKey of 2-[5-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]thiophen-2-yl]acetic acid?
The InChIKey is ARIWGEPPMJVTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-10(2)14(11(3)4)9-16-8-13-6-5-12(19-13)7-15(17)18/h5-6,10-11,14,16H,7-9H2,1-4H3,(H,17,18).
What are the key properties of 2-[5-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]thiophen-2-yl]acetic acid?
2-[5-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]thiophen-2-yl]acetic acid has a molecular weight of 283.44 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]thiophen-2-yl]acetic acid is sourced from PubChem (CID 102903995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).