2-amino-2-(7-bromo-2,3-dihydro-1H-inden-5-yl)acetic acid

C11H12BrNO2 — CID 84712529

IUPAC2-amino-2-(7-bromo-2,3-dihydro-1H-inden-5-yl)acetic acid
SMILESNC(C(=O)O)c1cc(Br)c2c(c1)CCC2
InChIInChI=1S/C11H12BrNO2/c12-9-5-7(10(13)11(14)15)4-6-2-1-3-8(6)9/h4-5,10H,1-3,13H2,(H,14,15)
InChIKeyHPRNJBWXFKJMFT-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.02
Rot. Bonds2

About 2-amino-2-(7-bromo-2,3-dihydro-1H-inden-5-yl)acetic acid

2-amino-2-(7-bromo-2,3-dihydro-1H-inden-5-yl)acetic acid (PubChem CID 84712529) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is 2-amino-2-(7-bromo-2,3-dihydro-1H-inden-5-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(7-bromo-2,3-dihydro-1H-inden-5-yl)acetic acid
PubChem CID84712529
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name2-amino-2-(7-bromo-2,3-dihydro-1H-inden-5-yl)acetic acid
SMILESNC(C(=O)O)c1cc(Br)c2c(c1)CCC2
InChIInChI=1S/C11H12BrNO2/c12-9-5-7(10(13)11(14)15)4-6-2-1-3-8(6)9/h4-5,10H,1-3,13H2,(H,14,15)
InChIKeyHPRNJBWXFKJMFT-UHFFFAOYSA-N
XLogP2.02
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 117454978
1-(7-bromo-2,3-dihydro-1H-inden-5-yl)ethanol
CID 84702409
2-amino-2-(3-bromo-4-hydroxy-5-methylphenyl)acetic acid
CID 84710017
3-(7-bromo-2,3-dihydro-1H-inden-5-yl)-3-cyclopropylpropanoic acid
CID 117493974
1-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 84708520
2-amino-2-(3-bromo-2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)acetic acid
CID 116983687
(2S)-2-amino-2-(4-bromo-3-methylphenyl)acetic acid
CID 95731754
3-(7-bromo-2,3-dihydro-1H-inden-5-yl)butanal
CID 117421033
(2R)-2-amino-2-(3-bromophenyl)acetic acid
CID 7033009
2-amino-2-(4-bromo-3-hydroxy-5-methylphenyl)acetic acid
CID 84806320
2-amino-2-(5,6,7,8-tetrahydroquinolin-3-yl)acetic acid
CID 83833341
2-amino-2-(4-amino-3,5-dimethylphenyl)acetic acid
CID 55297559

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(7-bromo-2,3-dihydro-1H-inden-5-yl)acetic acid?
The IUPAC name of 2-amino-2-(7-bromo-2,3-dihydro-1H-inden-5-yl)acetic acid (CID 84712529) is 2-amino-2-(7-bromo-2,3-dihydro-1H-inden-5-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(7-bromo-2,3-dihydro-1H-inden-5-yl)acetic acid?
The canonical SMILES for 2-amino-2-(7-bromo-2,3-dihydro-1H-inden-5-yl)acetic acid is NC(C(=O)O)c1cc(Br)c2c(c1)CCC2.
What is the InChIKey of 2-amino-2-(7-bromo-2,3-dihydro-1H-inden-5-yl)acetic acid?
The InChIKey is HPRNJBWXFKJMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c12-9-5-7(10(13)11(14)15)4-6-2-1-3-8(6)9/h4-5,10H,1-3,13H2,(H,14,15).
What are the key properties of 2-amino-2-(7-bromo-2,3-dihydro-1H-inden-5-yl)acetic acid?
2-amino-2-(7-bromo-2,3-dihydro-1H-inden-5-yl)acetic acid has a molecular weight of 270.13 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(7-bromo-2,3-dihydro-1H-inden-5-yl)acetic acid is sourced from PubChem (CID 84712529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).