(4R)-2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-4-carboxylic acid

C18H25NO3 — CID 51440155

IUPAC(4R)-2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-4-carboxylic acid
SMILESCOc1ccc(CN2C[C@H](C(=O)O)C3(CCCCC3)C2)cc1
InChIInChI=1S/C18H25NO3/c1-22-15-7-5-14(6-8-15)11-19-12-16(17(20)21)18(13-19)9-3-2-4-10-18/h5-8,16H,2-4,9-13H2,1H3,(H,20,21)/t16-/m1/s1
InChIKeyLPBIGGXKYNGSFP-MRXNPFEDSA-N
MW303.40 g/mol
LogP3.16
Rot. Bonds4

About (4R)-2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-4-carboxylic acid

(4R)-2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-4-carboxylic acid (PubChem CID 51440155) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is (4R)-2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-4-carboxylic acid
PubChem CID51440155
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name(4R)-2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-4-carboxylic acid
SMILESCOc1ccc(CN2C[C@H](C(=O)O)C3(CCCCC3)C2)cc1
InChIInChI=1S/C18H25NO3/c1-22-15-7-5-14(6-8-15)11-19-12-16(17(20)21)18(13-19)9-3-2-4-10-18/h5-8,16H,2-4,9-13H2,1H3,(H,20,21)/t16-/m1/s1
InChIKeyLPBIGGXKYNGSFP-MRXNPFEDSA-N
XLogP3.16
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(4S)-2-[(4-methoxyphenyl)methyl]-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone
CID 97451928
(4S)-2-[(3-methoxyphenyl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
CID 51440237
propyl 2-benzyl-2-azaspiro[4.5]decane-4-carboxylate
CID 167224628
(3S,4R)-4-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 46944572
(4S)-2-[(4-fluorophenyl)methyl]-8-methyl-2,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 51440317
2-[(4-fluoro-3-methoxyphenyl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
CID 139598964
2-[(4-bromophenyl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid;hydrochloride
CID 71432598
1-[(4-methoxyphenyl)methyl]-4,4-dimethylpyrrolidin-3-ol
CID 121207278
(3R)-1-[(4-methoxyphenyl)methyl]-4,4-dimethylpyrrolidin-3-ol
CID 129349125
[4-amino-1-[(4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-[tert-butyl(dimethyl)silyl]methanone
CID 175373957
(2R)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid
CID 51441017
(2S)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid
CID 51441015

Frequently Asked Questions

What is the IUPAC name of (4R)-2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of (4R)-2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-4-carboxylic acid (CID 51440155) is (4R)-2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for (4R)-2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for (4R)-2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-4-carboxylic acid is COc1ccc(CN2C[C@H](C(=O)O)C3(CCCCC3)C2)cc1.
What is the InChIKey of (4R)-2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is LPBIGGXKYNGSFP-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H25NO3/c1-22-15-7-5-14(6-8-15)11-19-12-16(17(20)21)18(13-19)9-3-2-4-10-18/h5-8,16H,2-4,9-13H2,1H3,(H,20,21)/t16-/m1/s1.
What are the key properties of (4R)-2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-4-carboxylic acid?
(4R)-2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 303.40 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 51440155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).