2-[2-methoxy-5-[[(6S)-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methyl]phenoxy]acetic acid

C20H30N2O4 — CID 99931792

IUPAC2-[2-methoxy-5-[[(6S)-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methyl]phenoxy]acetic acid
SMILESCOc1ccc(CN2CCC[C@]3(CCCN(C)C3)C2)cc1OCC(=O)O
InChIInChI=1S/C20H30N2O4/c1-21-9-3-7-20(14-21)8-4-10-22(15-20)12-16-5-6-17(25-2)18(11-16)26-13-19(23)24/h5-6,11H,3-4,7-10,12-15H2,1-2H3,(H,23,24)/t20-/m0/s1
InChIKeyCFGOLARWSQXKLA-FQEVSTJZSA-N
MW362.47 g/mol
LogP2.47
Rot. Bonds6

About 2-[2-methoxy-5-[[(6S)-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methyl]phenoxy]acetic acid

2-[2-methoxy-5-[[(6S)-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methyl]phenoxy]acetic acid (PubChem CID 99931792) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-[2-methoxy-5-[[(6S)-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-methoxy-5-[[(6S)-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methyl]phenoxy]acetic acid
PubChem CID99931792
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Name2-[2-methoxy-5-[[(6S)-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methyl]phenoxy]acetic acid
SMILESCOc1ccc(CN2CCC[C@]3(CCCN(C)C3)C2)cc1OCC(=O)O
InChIInChI=1S/C20H30N2O4/c1-21-9-3-7-20(14-21)8-4-10-22(15-20)12-16-5-6-17(25-2)18(11-16)26-13-19(23)24/h5-6,11H,3-4,7-10,12-15H2,1-2H3,(H,23,24)/t20-/m0/s1
InChIKeyCFGOLARWSQXKLA-FQEVSTJZSA-N
XLogP2.47
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-methoxy-5-[[(6S)-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methyl]phenoxy]acetic acid with MolForge

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Related Compounds

2-[2-methoxy-4-[[(3R)-3-methoxypiperidin-1-yl]methyl]phenoxy]acetic acid
CID 125443053
7-[(4-chlorophenyl)methyl]-2-methyl-2,7-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155843747
2-[5-[[(3S,4S)-3-hydroxy-4-propan-2-yloxypyrrolidin-1-yl]methyl]-2-methoxyphenoxy]acetic acid
CID 122559253
3-[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]propanoic acid
CID 20990596
1'-[(3,4-dimethoxyphenyl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-3-one
CID 155901788
2-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]acetic acid
CID 62689773
2-[4-chloro-2-[[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methyl]phenoxy]acetic acid
CID 164688781
5-[[(3S)-3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]methyl]-2-methoxybenzoic acid
CID 97123499
5-[[(3R)-3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]methyl]-2-methoxybenzoic acid
CID 97123500
2-[2-methoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenoxy]acetamide
CID 77084796
(3S)-3-ethyl-1-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidin-3-ol
CID 99935983
4-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol;oxalic acid
CID 2901135

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-5-[[(6S)-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-methoxy-5-[[(6S)-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methyl]phenoxy]acetic acid (CID 99931792) is 2-[2-methoxy-5-[[(6S)-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-methoxy-5-[[(6S)-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-methoxy-5-[[(6S)-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methyl]phenoxy]acetic acid is COc1ccc(CN2CCC[C@]3(CCCN(C)C3)C2)cc1OCC(=O)O.
What is the InChIKey of 2-[2-methoxy-5-[[(6S)-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methyl]phenoxy]acetic acid?
The InChIKey is CFGOLARWSQXKLA-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-21-9-3-7-20(14-21)8-4-10-22(15-20)12-16-5-6-17(25-2)18(11-16)26-13-19(23)24/h5-6,11H,3-4,7-10,12-15H2,1-2H3,(H,23,24)/t20-/m0/s1.
What are the key properties of 2-[2-methoxy-5-[[(6S)-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methyl]phenoxy]acetic acid?
2-[2-methoxy-5-[[(6S)-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methyl]phenoxy]acetic acid has a molecular weight of 362.47 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-5-[[(6S)-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methyl]phenoxy]acetic acid is sourced from PubChem (CID 99931792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).