2-[6-[(4-bromo-1H-indol-2-yl)methyl]-6-azaspiro[3.4]octan-7-yl]acetic acid

C18H21BrN2O2 — CID 167872537

IUPAC2-[6-[(4-bromo-1H-indol-2-yl)methyl]-6-azaspiro[3.4]octan-7-yl]acetic acid
SMILESO=C(O)CC1CC2(CCC2)CN1Cc1cc2c(Br)cccc2[nH]1
InChIInChI=1S/C18H21BrN2O2/c19-15-3-1-4-16-14(15)7-12(20-16)10-21-11-18(5-2-6-18)9-13(21)8-17(22)23/h1,3-4,7,13,20H,2,5-6,8-11H2,(H,22,23)
InChIKeyNPZBJAFFZBMPQD-UHFFFAOYSA-N
MW377.28 g/mol
LogP4.15
Rot. Bonds4

About 2-[6-[(4-bromo-1H-indol-2-yl)methyl]-6-azaspiro[3.4]octan-7-yl]acetic acid

2-[6-[(4-bromo-1H-indol-2-yl)methyl]-6-azaspiro[3.4]octan-7-yl]acetic acid (PubChem CID 167872537) has the molecular formula C18H21BrN2O2 and a molecular weight of 377.28 g/mol. Its IUPAC name is 2-[6-[(4-bromo-1H-indol-2-yl)methyl]-6-azaspiro[3.4]octan-7-yl]acetic acid.

Molecular Properties

Compound Name2-[6-[(4-bromo-1H-indol-2-yl)methyl]-6-azaspiro[3.4]octan-7-yl]acetic acid
PubChem CID167872537
Molecular FormulaC18H21BrN2O2
Molecular Weight377.28 g/mol
Exact Mass376.08
IUPAC Name2-[6-[(4-bromo-1H-indol-2-yl)methyl]-6-azaspiro[3.4]octan-7-yl]acetic acid
SMILESO=C(O)CC1CC2(CCC2)CN1Cc1cc2c(Br)cccc2[nH]1
InChIInChI=1S/C18H21BrN2O2/c19-15-3-1-4-16-14(15)7-12(20-16)10-21-11-18(5-2-6-18)9-13(21)8-17(22)23/h1,3-4,7,13,20H,2,5-6,8-11H2,(H,22,23)
InChIKeyNPZBJAFFZBMPQD-UHFFFAOYSA-N
XLogP4.15
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[6-[(4-bromo-1H-indol-2-yl)methyl]-6-azaspiro[3.4]octan-7-yl]acetic acid with MolForge

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Related Compounds

4-bromo-2-(bromomethyl)-1H-indole
CID 133062048
4-bromo-2-(chloromethyl)-1H-indole
CID 133054456
1-(4-bromo-1H-indol-2-yl)cyclopentan-1-amine
CID 82378614
1-[(4-fluoro-1H-indol-2-yl)methyl]-3-methyl-2-phenylimidazolidin-4-one
CID 166329404
[(3S)-2-benzyl-2-azaspiro[4.5]decan-3-yl]methanol
CID 168976217
2,3-dibenzyl-2-azaspiro[4.5]decane
CID 10990798
3-[(4-bromo-1H-indol-2-yl)methylamino]-5-hydroxybenzoic acid
CID 166376539
(4-bromo-1H-indol-2-yl) ethyl carbonate
CID 129158532
4-bromo-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-1H-indole-2-carboxamide
CID 177251668
4-bromo-N-(3-methyloxan-3-yl)-1H-indole-2-carboxamide
CID 146125241
2-(8-bromo-1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid
CID 82379309
2-(4-sulfanyl-1H-indol-2-yl)acetic acid
CID 70452215

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(4-bromo-1H-indol-2-yl)methyl]-6-azaspiro[3.4]octan-7-yl]acetic acid?
The IUPAC name of 2-[6-[(4-bromo-1H-indol-2-yl)methyl]-6-azaspiro[3.4]octan-7-yl]acetic acid (CID 167872537) is 2-[6-[(4-bromo-1H-indol-2-yl)methyl]-6-azaspiro[3.4]octan-7-yl]acetic acid.
What is the SMILES notation for 2-[6-[(4-bromo-1H-indol-2-yl)methyl]-6-azaspiro[3.4]octan-7-yl]acetic acid?
The canonical SMILES for 2-[6-[(4-bromo-1H-indol-2-yl)methyl]-6-azaspiro[3.4]octan-7-yl]acetic acid is O=C(O)CC1CC2(CCC2)CN1Cc1cc2c(Br)cccc2[nH]1.
What is the InChIKey of 2-[6-[(4-bromo-1H-indol-2-yl)methyl]-6-azaspiro[3.4]octan-7-yl]acetic acid?
The InChIKey is NPZBJAFFZBMPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O2/c19-15-3-1-4-16-14(15)7-12(20-16)10-21-11-18(5-2-6-18)9-13(21)8-17(22)23/h1,3-4,7,13,20H,2,5-6,8-11H2,(H,22,23).
What are the key properties of 2-[6-[(4-bromo-1H-indol-2-yl)methyl]-6-azaspiro[3.4]octan-7-yl]acetic acid?
2-[6-[(4-bromo-1H-indol-2-yl)methyl]-6-azaspiro[3.4]octan-7-yl]acetic acid has a molecular weight of 377.28 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(4-bromo-1H-indol-2-yl)methyl]-6-azaspiro[3.4]octan-7-yl]acetic acid is sourced from PubChem (CID 167872537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).