(1S)-1-amino-5-bromo-2,3-dihydroindene-1-carboxylic acid

C10H10BrNO2 — CID 118956982

IUPAC(1S)-1-amino-5-bromo-2,3-dihydroindene-1-carboxylic acid
SMILESN[C@@]1(C(=O)O)CCc2cc(Br)ccc21
InChIInChI=1S/C10H10BrNO2/c11-7-1-2-8-6(5-7)3-4-10(8,12)9(13)14/h1-2,5H,3-4,12H2,(H,13,14)/t10-/m0/s1
InChIKeyGOLPYIMQUBXZNR-JTQLQIEISA-N
MW256.10 g/mol
LogP1.63
Rot. Bonds1

About (1S)-1-amino-5-bromo-2,3-dihydroindene-1-carboxylic acid

(1S)-1-amino-5-bromo-2,3-dihydroindene-1-carboxylic acid (PubChem CID 118956982) has the molecular formula C10H10BrNO2 and a molecular weight of 256.10 g/mol. Its IUPAC name is (1S)-1-amino-5-bromo-2,3-dihydroindene-1-carboxylic acid.

Molecular Properties

Compound Name(1S)-1-amino-5-bromo-2,3-dihydroindene-1-carboxylic acid
PubChem CID118956982
Molecular FormulaC10H10BrNO2
Molecular Weight256.10 g/mol
Exact Mass254.99
IUPAC Name(1S)-1-amino-5-bromo-2,3-dihydroindene-1-carboxylic acid
SMILESN[C@@]1(C(=O)O)CCc2cc(Br)ccc21
InChIInChI=1S/C10H10BrNO2/c11-7-1-2-8-6(5-7)3-4-10(8,12)9(13)14/h1-2,5H,3-4,12H2,(H,13,14)/t10-/m0/s1
InChIKeyGOLPYIMQUBXZNR-JTQLQIEISA-N
XLogP1.63
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-5-phosphono-2,3-dihydroindene-1-carboxylic acid
CID 4694355
2-amino-6-bromo-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 57352291
6-bromo-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 84729994
1-amino-6-chloro-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 83911212
6-bromo-1-methyl-2,3-dihydroindene-1-carboxylic acid
CID 18545988
6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid
CID 115057075
4-amino-2-methyl-5,6-dihydrocyclopenta[c]pyrrole-4-carboxylic acid
CID 83906432
(1R)-5-bromo-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid
CID 138109460
6-bromospiro[1,2-dihydroindene-3,1'-cyclopropane];ethane
CID 145339117
5-bromo-1-[bromo(difluoro)methyl]-2,3-dihydroinden-1-ol
CID 107140447
(1'R,3R)-6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
CID 124572230
(1'S)-6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
CID 129284661

Frequently Asked Questions

What is the IUPAC name of (1S)-1-amino-5-bromo-2,3-dihydroindene-1-carboxylic acid?
The IUPAC name of (1S)-1-amino-5-bromo-2,3-dihydroindene-1-carboxylic acid (CID 118956982) is (1S)-1-amino-5-bromo-2,3-dihydroindene-1-carboxylic acid.
What is the SMILES notation for (1S)-1-amino-5-bromo-2,3-dihydroindene-1-carboxylic acid?
The canonical SMILES for (1S)-1-amino-5-bromo-2,3-dihydroindene-1-carboxylic acid is N[C@@]1(C(=O)O)CCc2cc(Br)ccc21.
What is the InChIKey of (1S)-1-amino-5-bromo-2,3-dihydroindene-1-carboxylic acid?
The InChIKey is GOLPYIMQUBXZNR-JTQLQIEISA-N. The full InChI is InChI=1S/C10H10BrNO2/c11-7-1-2-8-6(5-7)3-4-10(8,12)9(13)14/h1-2,5H,3-4,12H2,(H,13,14)/t10-/m0/s1.
What are the key properties of (1S)-1-amino-5-bromo-2,3-dihydroindene-1-carboxylic acid?
(1S)-1-amino-5-bromo-2,3-dihydroindene-1-carboxylic acid has a molecular weight of 256.10 g/mol, XLogP of 1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-amino-5-bromo-2,3-dihydroindene-1-carboxylic acid is sourced from PubChem (CID 118956982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).