8-[(5-carboxy-2-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C18H24N2O5 — CID 56904104

IUPAC8-[(5-carboxy-2-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCOc1ccc(C(=O)O)cc1CN1CCC2(CC1)CNC(C(=O)O)C2
InChIInChI=1S/C18H24N2O5/c1-25-15-3-2-12(16(21)22)8-13(15)10-20-6-4-18(5-7-20)9-14(17(23)24)19-11-18/h2-3,8,14,19H,4-7,9-11H2,1H3,(H,21,22)(H,23,24)
InChIKeyMIDNOBCIOCWDBD-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.42
Rot. Bonds5

About 8-[(5-carboxy-2-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid

8-[(5-carboxy-2-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 56904104) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is 8-[(5-carboxy-2-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name8-[(5-carboxy-2-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID56904104
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name8-[(5-carboxy-2-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCOc1ccc(C(=O)O)cc1CN1CCC2(CC1)CNC(C(=O)O)C2
InChIInChI=1S/C18H24N2O5/c1-25-15-3-2-12(16(21)22)8-13(15)10-20-6-4-18(5-7-20)9-14(17(23)24)19-11-18/h2-3,8,14,19H,4-7,9-11H2,1H3,(H,21,22)(H,23,24)
InChIKeyMIDNOBCIOCWDBD-UHFFFAOYSA-N
XLogP1.42
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 8-[(5-carboxy-2-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid with MolForge

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Related Compounds

(3R)-8-[(4-methoxy-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95873944
4-methoxy-3-[(4-methylpiperidin-1-yl)methyl]benzoic acid
CID 62019516
3-[[4-(dimethylamino)piperidin-1-yl]methyl]-4-methoxybenzoic acid
CID 62019164
4-methoxy-3-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 63971622
3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-4-methoxybenzoic acid
CID 62018786
1-[4-methoxy-3-(piperazin-1-ylmethyl)phenyl]ethanone
CID 43237144
2-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]-2-oxoacetic acid
CID 117444225
4-methoxy-3-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 106588718
3-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-4-methoxybenzoic acid
CID 63635444
3-[(2,5-dioxoimidazolidin-1-yl)methyl]-4-methoxybenzoic acid
CID 62023502
3-[(3-carbamoylpiperidin-1-yl)methyl]-4-methoxybenzoic acid
CID 62019341
1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanone
CID 43218731

Frequently Asked Questions

What is the IUPAC name of 8-[(5-carboxy-2-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 8-[(5-carboxy-2-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 56904104) is 8-[(5-carboxy-2-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 8-[(5-carboxy-2-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 8-[(5-carboxy-2-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is COc1ccc(C(=O)O)cc1CN1CCC2(CC1)CNC(C(=O)O)C2.
What is the InChIKey of 8-[(5-carboxy-2-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is MIDNOBCIOCWDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-25-15-3-2-12(16(21)22)8-13(15)10-20-6-4-18(5-7-20)9-14(17(23)24)19-11-18/h2-3,8,14,19H,4-7,9-11H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 8-[(5-carboxy-2-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
8-[(5-carboxy-2-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 348.40 g/mol, XLogP of 1.42, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-carboxy-2-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 56904104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).