2-(2,5-dimethylthiophen-3-yl)-2-(2-methoxyethylamino)acetic acid

C11H17NO3S — CID 62539805

IUPAC2-(2,5-dimethylthiophen-3-yl)-2-(2-methoxyethylamino)acetic acid
SMILESCOCCNC(C(=O)O)c1cc(C)sc1C
InChIInChI=1S/C11H17NO3S/c1-7-6-9(8(2)16-7)10(11(13)14)12-4-5-15-3/h6,10,12H,4-5H2,1-3H3,(H,13,14)
InChIKeyKHDBKNXJVXWSMM-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.73
Rot. Bonds6

About 2-(2,5-dimethylthiophen-3-yl)-2-(2-methoxyethylamino)acetic acid

2-(2,5-dimethylthiophen-3-yl)-2-(2-methoxyethylamino)acetic acid (PubChem CID 62539805) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-(2,5-dimethylthiophen-3-yl)-2-(2-methoxyethylamino)acetic acid.

Molecular Properties

Compound Name2-(2,5-dimethylthiophen-3-yl)-2-(2-methoxyethylamino)acetic acid
PubChem CID62539805
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name2-(2,5-dimethylthiophen-3-yl)-2-(2-methoxyethylamino)acetic acid
SMILESCOCCNC(C(=O)O)c1cc(C)sc1C
InChIInChI=1S/C11H17NO3S/c1-7-6-9(8(2)16-7)10(11(13)14)12-4-5-15-3/h6,10,12H,4-5H2,1-3H3,(H,13,14)
InChIKeyKHDBKNXJVXWSMM-UHFFFAOYSA-N
XLogP1.73
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-dimethylthiophen-3-yl)-N-(2-methoxyethyl)ethanamine
CID 43200659
2-(4-bromo-5-methylthiophen-2-yl)-2-(2-methoxyethylamino)acetic acid
CID 102841052
3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-(2-methoxyethyl)propanamide
CID 112700220
(2R)-2-(2-bromophenyl)-2-(2-methoxyethylamino)acetic acid
CID 94479863
2-(1,5-dimethylpyrazol-4-yl)-2-(2-methoxyethylamino)acetic acid
CID 79583704
methyl 2-(2,5-dimethylthiophen-3-yl)-2-hydroxyacetate
CID 62214666
4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1-methoxybutan-2-ol
CID 103906007
ethyl 2-(3-azidopropylamino)-2-(2,5-dimethylthiophen-3-yl)acetate
CID 66190132
4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]butanoic acid
CID 60782598
2-(2-methoxyethylamino)-2-(5-methoxy-1-methylindol-3-yl)acetic acid
CID 84748283
2-(3-bromo-4-chlorophenyl)-2-(2-methoxyethylamino)acetic acid
CID 83229877
2-(1,3-benzodioxol-5-yl)-2-(2-methoxyethylamino)acetic acid
CID 62541216

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylthiophen-3-yl)-2-(2-methoxyethylamino)acetic acid?
The IUPAC name of 2-(2,5-dimethylthiophen-3-yl)-2-(2-methoxyethylamino)acetic acid (CID 62539805) is 2-(2,5-dimethylthiophen-3-yl)-2-(2-methoxyethylamino)acetic acid.
What is the SMILES notation for 2-(2,5-dimethylthiophen-3-yl)-2-(2-methoxyethylamino)acetic acid?
The canonical SMILES for 2-(2,5-dimethylthiophen-3-yl)-2-(2-methoxyethylamino)acetic acid is COCCNC(C(=O)O)c1cc(C)sc1C.
What is the InChIKey of 2-(2,5-dimethylthiophen-3-yl)-2-(2-methoxyethylamino)acetic acid?
The InChIKey is KHDBKNXJVXWSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-7-6-9(8(2)16-7)10(11(13)14)12-4-5-15-3/h6,10,12H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 2-(2,5-dimethylthiophen-3-yl)-2-(2-methoxyethylamino)acetic acid?
2-(2,5-dimethylthiophen-3-yl)-2-(2-methoxyethylamino)acetic acid has a molecular weight of 243.33 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylthiophen-3-yl)-2-(2-methoxyethylamino)acetic acid is sourced from PubChem (CID 62539805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).