2-[2-[(5-bromothiophen-2-yl)methylamino]-2-oxoethoxy]acetic acid

C9H10BrNO4S — CID 61328653

IUPAC2-[2-[(5-bromothiophen-2-yl)methylamino]-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)NCc1ccc(Br)s1
InChIInChI=1S/C9H10BrNO4S/c10-7-2-1-6(16-7)3-11-8(12)4-15-5-9(13)14/h1-2H,3-5H2,(H,11,12)(H,13,14)
InChIKeyYROBVYYLMPDHGQ-UHFFFAOYSA-N
MW308.15 g/mol
LogP1.23
Rot. Bonds6

About 2-[2-[(5-bromothiophen-2-yl)methylamino]-2-oxoethoxy]acetic acid

2-[2-[(5-bromothiophen-2-yl)methylamino]-2-oxoethoxy]acetic acid (PubChem CID 61328653) has the molecular formula C9H10BrNO4S and a molecular weight of 308.15 g/mol. Its IUPAC name is 2-[2-[(5-bromothiophen-2-yl)methylamino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(5-bromothiophen-2-yl)methylamino]-2-oxoethoxy]acetic acid
PubChem CID61328653
Molecular FormulaC9H10BrNO4S
Molecular Weight308.15 g/mol
Exact Mass306.95
IUPAC Name2-[2-[(5-bromothiophen-2-yl)methylamino]-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)NCc1ccc(Br)s1
InChIInChI=1S/C9H10BrNO4S/c10-7-2-1-6(16-7)3-11-8(12)4-15-5-9(13)14/h1-2H,3-5H2,(H,11,12)(H,13,14)
InChIKeyYROBVYYLMPDHGQ-UHFFFAOYSA-N
XLogP1.23
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.15
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(5-ethylthiophen-2-yl)methylamino]-2-oxoethoxy]acetic acid
CID 106003719
5-[(5-bromothiophen-2-yl)methylamino]-5-oxopentanoic acid
CID 61011624
2-amino-N-[(5-bromothiophen-2-yl)methyl]acetamide;hydrochloride
CID 119292889
N-[(5-bromothiophen-2-yl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 32775769
N-[(5-bromothiophen-2-yl)methyl]-2-(4-chlorophenoxy)acetamide
CID 32775706
N-[(5-bromothiophen-2-yl)methyl]-2-(4-fluorophenoxy)acetamide
CID 32774847
2-[2-[(4-bromophenyl)methylamino]-2-oxoethoxy]acetic acid
CID 61328220
ethyl 3-[(5-bromothiophen-2-yl)methylamino]-3-oxopropanoate
CID 115138552
2-amino-4-[(5-bromothiophen-2-yl)methylamino]-4-oxobutanoic acid
CID 115181064
N-[(5-bromothiophen-2-yl)methyl]-4-ethoxybutanamide
CID 112728063
N-[(5-bromothiophen-2-yl)methyl]pentanamide
CID 60738185
N-[(5-bromothiophen-2-yl)methyl]-5-hydroxypentanamide
CID 79210221

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-bromothiophen-2-yl)methylamino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[(5-bromothiophen-2-yl)methylamino]-2-oxoethoxy]acetic acid (CID 61328653) is 2-[2-[(5-bromothiophen-2-yl)methylamino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(5-bromothiophen-2-yl)methylamino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[(5-bromothiophen-2-yl)methylamino]-2-oxoethoxy]acetic acid is O=C(O)COCC(=O)NCc1ccc(Br)s1.
What is the InChIKey of 2-[2-[(5-bromothiophen-2-yl)methylamino]-2-oxoethoxy]acetic acid?
The InChIKey is YROBVYYLMPDHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO4S/c10-7-2-1-6(16-7)3-11-8(12)4-15-5-9(13)14/h1-2H,3-5H2,(H,11,12)(H,13,14).
What are the key properties of 2-[2-[(5-bromothiophen-2-yl)methylamino]-2-oxoethoxy]acetic acid?
2-[2-[(5-bromothiophen-2-yl)methylamino]-2-oxoethoxy]acetic acid has a molecular weight of 308.15 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-bromothiophen-2-yl)methylamino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61328653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).