2-[acetyl(methyl)amino]-2-(3-bromothiophen-2-yl)acetic acid

C9H10BrNO3S — CID 115380681

IUPAC2-[acetyl(methyl)amino]-2-(3-bromothiophen-2-yl)acetic acid
SMILESCC(=O)N(C)C(C(=O)O)c1sccc1Br
InChIInChI=1S/C9H10BrNO3S/c1-5(12)11(2)7(9(13)14)8-6(10)3-4-15-8/h3-4,7H,1-2H3,(H,13,14)
InChIKeyFCFNOSGQXVNKSC-UHFFFAOYSA-N
MW292.15 g/mol
LogP2.11
Rot. Bonds3

About 2-[acetyl(methyl)amino]-2-(3-bromothiophen-2-yl)acetic acid

2-[acetyl(methyl)amino]-2-(3-bromothiophen-2-yl)acetic acid (PubChem CID 115380681) has the molecular formula C9H10BrNO3S and a molecular weight of 292.15 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]-2-(3-bromothiophen-2-yl)acetic acid.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]-2-(3-bromothiophen-2-yl)acetic acid
PubChem CID115380681
Molecular FormulaC9H10BrNO3S
Molecular Weight292.15 g/mol
Exact Mass290.96
IUPAC Name2-[acetyl(methyl)amino]-2-(3-bromothiophen-2-yl)acetic acid
SMILESCC(=O)N(C)C(C(=O)O)c1sccc1Br
InChIInChI=1S/C9H10BrNO3S/c1-5(12)11(2)7(9(13)14)8-6(10)3-4-15-8/h3-4,7H,1-2H3,(H,13,14)
InChIKeyFCFNOSGQXVNKSC-UHFFFAOYSA-N
XLogP2.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.15
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromothiophen-2-yl)-2-[cyclopropyl(formyl)amino]acetic acid
CID 115380688
3-bromo-N-methyl-N-propan-2-ylthiophene-2-carboxamide
CID 60778218
2-[acetyl(methyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid
CID 104770718
(3R)-3-acetamido-3-(3-bromothiophen-2-yl)propanoic acid
CID 115380715
2-[acetyl(methyl)amino]-2-(2-bromo-4,5-dimethoxyphenyl)acetic acid
CID 63705069
2-(3-bromothiophen-2-yl)-2-(2-methylpropylamino)acetic acid
CID 115380650
2-(3-bromothiophen-2-yl)-2-(4-methylpiperazin-1-yl)acetic acid
CID 115381023
2-[acetyl(methyl)amino]-2-(2-methylphenyl)acetic acid
CID 63703755
2-[acetyl(methyl)amino]-2-(2-methoxyphenyl)acetic acid
CID 63701934
N-(1-aminopropan-2-yl)-3-bromo-N-methylthiophene-2-carboxamide;hydrochloride
CID 119583431
2-(3-bromothiophen-2-yl)-2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
CID 103829212
2-[acetyl(methyl)amino]-2-[4-(trifluoromethyl)phenyl]acetic acid
CID 63702709

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(methyl)amino]-2-(3-bromothiophen-2-yl)acetic acid?
The IUPAC name of 2-[acetyl(methyl)amino]-2-(3-bromothiophen-2-yl)acetic acid (CID 115380681) is 2-[acetyl(methyl)amino]-2-(3-bromothiophen-2-yl)acetic acid.
What is the SMILES notation for 2-[acetyl(methyl)amino]-2-(3-bromothiophen-2-yl)acetic acid?
The canonical SMILES for 2-[acetyl(methyl)amino]-2-(3-bromothiophen-2-yl)acetic acid is CC(=O)N(C)C(C(=O)O)c1sccc1Br.
What is the InChIKey of 2-[acetyl(methyl)amino]-2-(3-bromothiophen-2-yl)acetic acid?
The InChIKey is FCFNOSGQXVNKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO3S/c1-5(12)11(2)7(9(13)14)8-6(10)3-4-15-8/h3-4,7H,1-2H3,(H,13,14).
What are the key properties of 2-[acetyl(methyl)amino]-2-(3-bromothiophen-2-yl)acetic acid?
2-[acetyl(methyl)amino]-2-(3-bromothiophen-2-yl)acetic acid has a molecular weight of 292.15 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(methyl)amino]-2-(3-bromothiophen-2-yl)acetic acid is sourced from PubChem (CID 115380681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).