2-[2-[[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]methyl]phenoxy]acetic acid

C22H26N2O4 — CID 56895920

IUPAC2-[2-[[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]methyl]phenoxy]acetic acid
SMILESN[C@@H]1c2ccccc2C2(CCN(Cc3ccccc3OCC(=O)O)CC2)[C@H]1O
InChIInChI=1S/C22H26N2O4/c23-20-16-6-2-3-7-17(16)22(21(20)27)9-11-24(12-10-22)13-15-5-1-4-8-18(15)28-14-19(25)26/h1-8,20-21,27H,9-14,23H2,(H,25,26)/t20-,21+/m1/s1
InChIKeyHAYKETRJZUTBIA-RTWAWAEBSA-N
MW382.46 g/mol
LogP2.06
Rot. Bonds5

About 2-[2-[[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]methyl]phenoxy]acetic acid

2-[2-[[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]methyl]phenoxy]acetic acid (PubChem CID 56895920) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-[2-[[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]methyl]phenoxy]acetic acid
PubChem CID56895920
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name2-[2-[[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]methyl]phenoxy]acetic acid
SMILESN[C@@H]1c2ccccc2C2(CCN(Cc3ccccc3OCC(=O)O)CC2)[C@H]1O
InChIInChI=1S/C22H26N2O4/c23-20-16-6-2-3-7-17(16)22(21(20)27)9-11-24(12-10-22)13-15-5-1-4-8-18(15)28-14-19(25)26/h1-8,20-21,27H,9-14,23H2,(H,25,26)/t20-,21+/m1/s1
InChIKeyHAYKETRJZUTBIA-RTWAWAEBSA-N
XLogP2.06
TPSA96.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[2-[[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]methyl]phenoxy]acetic acid with MolForge

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Related Compounds

(1R,2R)-1-amino-1'-(quinolin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 56891779
(1R,2R)-1-amino-1'-[(5-phenyl-1H-pyrazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 56884912
(1R,2R)-1-amino-1'-[(3,5-dimethoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 56896346
2-[2-[(2-methyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)methyl]phenoxy]acetic acid
CID 70706893
(1R,2R)-1-amino-1'-[(3-hydroxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 56915599
2-[2-[[3-(2-fluorophenyl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid
CID 56915846
2-[2-[[(4R)-4-phenylazepan-1-yl]methyl]phenoxy]acetic acid
CID 99946154
2-[2-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]phenoxy]acetic acid
CID 56746995
2-[2-[[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]methyl]phenoxy]acetic acid
CID 56718402
N-[(1R,2R)-1'-[(2-fluorophenyl)methyl]-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide
CID 26275282
2-[2-[[(4aS,9aS)-3-oxo-4a,5,6,8,9,9a-hexahydro-4H-[1,4]oxazino[2,3-d]azepin-7-yl]methyl]phenoxy]acetic acid
CID 110127105
2-[2-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]phenoxy]acetic acid
CID 77088349

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-[[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]methyl]phenoxy]acetic acid (CID 56895920) is 2-[2-[[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]methyl]phenoxy]acetic acid is N[C@@H]1c2ccccc2C2(CCN(Cc3ccccc3OCC(=O)O)CC2)[C@H]1O.
What is the InChIKey of 2-[2-[[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]methyl]phenoxy]acetic acid?
The InChIKey is HAYKETRJZUTBIA-RTWAWAEBSA-N. The full InChI is InChI=1S/C22H26N2O4/c23-20-16-6-2-3-7-17(16)22(21(20)27)9-11-24(12-10-22)13-15-5-1-4-8-18(15)28-14-19(25)26/h1-8,20-21,27H,9-14,23H2,(H,25,26)/t20-,21+/m1/s1.
What are the key properties of 2-[2-[[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]methyl]phenoxy]acetic acid?
2-[2-[[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]methyl]phenoxy]acetic acid has a molecular weight of 382.46 g/mol, XLogP of 2.06, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]methyl]phenoxy]acetic acid is sourced from PubChem (CID 56895920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).