2-[5-[(ethoxyamino)methyl]thiophen-2-yl]acetic acid

C9H13NO3S — CID 82885844

IUPAC2-[5-[(ethoxyamino)methyl]thiophen-2-yl]acetic acid
SMILESCCONCc1ccc(CC(=O)O)s1
InChIInChI=1S/C9H13NO3S/c1-2-13-10-6-8-4-3-7(14-8)5-9(11)12/h3-4,10H,2,5-6H2,1H3,(H,11,12)
InChIKeyFBGNYRSDHQZKTH-UHFFFAOYSA-N
MW215.27 g/mol
LogP1.42
Rot. Bonds6

About 2-[5-[(ethoxyamino)methyl]thiophen-2-yl]acetic acid

2-[5-[(ethoxyamino)methyl]thiophen-2-yl]acetic acid (PubChem CID 82885844) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is 2-[5-[(ethoxyamino)methyl]thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[(ethoxyamino)methyl]thiophen-2-yl]acetic acid
PubChem CID82885844
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name2-[5-[(ethoxyamino)methyl]thiophen-2-yl]acetic acid
SMILESCCONCc1ccc(CC(=O)O)s1
InChIInChI=1S/C9H13NO3S/c1-2-13-10-6-8-4-3-7(14-8)5-9(11)12/h3-4,10H,2,5-6H2,1H3,(H,11,12)
InChIKeyFBGNYRSDHQZKTH-UHFFFAOYSA-N
XLogP1.42
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[5-[[(3-ethoxycyclobutyl)amino]methyl]thiophen-2-yl]acetic acid
CID 114118777
2-[5-[[(6-ethoxy-3-pyridinyl)amino]methyl]thiophen-2-yl]acetic acid
CID 82885833
methyl 2-[5-[(phenylmethoxyamino)methyl]thiophen-2-yl]acetate
CID 82886296
2-[5-[(4-propan-2-yloxyanilino)methyl]thiophen-2-yl]acetic acid
CID 82886527
2-[5-[[(2-methoxy-2-methylpropyl)amino]methyl]thiophen-2-yl]acetic acid
CID 113450026
2-[5-(hydroxymethyl)thiophen-2-yl]acetic acid
CID 82885627
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
2-[5-[[(4-methoxyphenyl)methylamino]methyl]thiophen-2-yl]acetic acid
CID 82894251
2-[5-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]thiophen-2-yl]acetic acid
CID 102903995
2-[5-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]thiophen-2-yl]acetic acid
CID 82893950
2-[5-[(2-propoxyanilino)methyl]thiophen-2-yl]acetic acid
CID 82886738

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(ethoxyamino)methyl]thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-[(ethoxyamino)methyl]thiophen-2-yl]acetic acid (CID 82885844) is 2-[5-[(ethoxyamino)methyl]thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[(ethoxyamino)methyl]thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-[(ethoxyamino)methyl]thiophen-2-yl]acetic acid is CCONCc1ccc(CC(=O)O)s1.
What is the InChIKey of 2-[5-[(ethoxyamino)methyl]thiophen-2-yl]acetic acid?
The InChIKey is FBGNYRSDHQZKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-2-13-10-6-8-4-3-7(14-8)5-9(11)12/h3-4,10H,2,5-6H2,1H3,(H,11,12).
What are the key properties of 2-[5-[(ethoxyamino)methyl]thiophen-2-yl]acetic acid?
2-[5-[(ethoxyamino)methyl]thiophen-2-yl]acetic acid has a molecular weight of 215.27 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(ethoxyamino)methyl]thiophen-2-yl]acetic acid is sourced from PubChem (CID 82885844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).