2-(4-bromo-5-methylthiophen-2-yl)-2-(2-methoxyethylamino)acetic acid

C10H14BrNO3S — CID 102841052

IUPAC2-(4-bromo-5-methylthiophen-2-yl)-2-(2-methoxyethylamino)acetic acid
SMILESCOCCNC(C(=O)O)c1cc(Br)c(C)s1
InChIInChI=1S/C10H14BrNO3S/c1-6-7(11)5-8(16-6)9(10(13)14)12-3-4-15-2/h5,9,12H,3-4H2,1-2H3,(H,13,14)
InChIKeyBFJOGTDPJBLMPA-UHFFFAOYSA-N
MW308.20 g/mol
LogP2.18
Rot. Bonds6

About 2-(4-bromo-5-methylthiophen-2-yl)-2-(2-methoxyethylamino)acetic acid

2-(4-bromo-5-methylthiophen-2-yl)-2-(2-methoxyethylamino)acetic acid (PubChem CID 102841052) has the molecular formula C10H14BrNO3S and a molecular weight of 308.20 g/mol. Its IUPAC name is 2-(4-bromo-5-methylthiophen-2-yl)-2-(2-methoxyethylamino)acetic acid.

Molecular Properties

Compound Name2-(4-bromo-5-methylthiophen-2-yl)-2-(2-methoxyethylamino)acetic acid
PubChem CID102841052
Molecular FormulaC10H14BrNO3S
Molecular Weight308.20 g/mol
Exact Mass306.99
IUPAC Name2-(4-bromo-5-methylthiophen-2-yl)-2-(2-methoxyethylamino)acetic acid
SMILESCOCCNC(C(=O)O)c1cc(Br)c(C)s1
InChIInChI=1S/C10H14BrNO3S/c1-6-7(11)5-8(16-6)9(10(13)14)12-3-4-15-2/h5,9,12H,3-4H2,1-2H3,(H,13,14)
InChIKeyBFJOGTDPJBLMPA-UHFFFAOYSA-N
XLogP2.18
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 52.18
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

2-(2,5-dimethylthiophen-3-yl)-2-(2-methoxyethylamino)acetic acid
CID 62539805
2-(benzylamino)-2-(4-bromo-5-methylthiophen-2-yl)acetic acid
CID 102840631
methyl 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methoxyethylamino)acetate
CID 102841044
(2R)-2-(2-bromophenyl)-2-(2-methoxyethylamino)acetic acid
CID 94479863
2-(3-bromo-4-chlorophenyl)-2-(2-methoxyethylamino)acetic acid
CID 83229877
2-(2-bromo-5-chlorophenyl)-2-(2-methoxyethylamino)acetamide
CID 66155462
2-(4,5-dibromothiophen-2-yl)-2-(prop-2-ynylamino)acetic acid
CID 102841028
2-(1,5-dimethylpyrazol-4-yl)-2-(2-methoxyethylamino)acetic acid
CID 79583704
2-(2-chloro-6-methoxyphenyl)-2-(2-methoxyethylamino)acetic acid
CID 104816578
(3R)-3-(4-bromo-5-methylthiophen-2-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 102841428
methyl 5-amino-5-(4-bromo-5-methylthiophen-2-yl)-3-methylpentanoate
CID 102828928
2-(1,3-benzodioxol-5-yl)-2-(2-methoxyethylamino)acetic acid
CID 62541216

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-methylthiophen-2-yl)-2-(2-methoxyethylamino)acetic acid?
The IUPAC name of 2-(4-bromo-5-methylthiophen-2-yl)-2-(2-methoxyethylamino)acetic acid (CID 102841052) is 2-(4-bromo-5-methylthiophen-2-yl)-2-(2-methoxyethylamino)acetic acid.
What is the SMILES notation for 2-(4-bromo-5-methylthiophen-2-yl)-2-(2-methoxyethylamino)acetic acid?
The canonical SMILES for 2-(4-bromo-5-methylthiophen-2-yl)-2-(2-methoxyethylamino)acetic acid is COCCNC(C(=O)O)c1cc(Br)c(C)s1.
What is the InChIKey of 2-(4-bromo-5-methylthiophen-2-yl)-2-(2-methoxyethylamino)acetic acid?
The InChIKey is BFJOGTDPJBLMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO3S/c1-6-7(11)5-8(16-6)9(10(13)14)12-3-4-15-2/h5,9,12H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 2-(4-bromo-5-methylthiophen-2-yl)-2-(2-methoxyethylamino)acetic acid?
2-(4-bromo-5-methylthiophen-2-yl)-2-(2-methoxyethylamino)acetic acid has a molecular weight of 308.20 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-methylthiophen-2-yl)-2-(2-methoxyethylamino)acetic acid is sourced from PubChem (CID 102841052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).