(3R)-8-[(2-carboxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C18H24N2O4 — CID 95724104

IUPAC(3R)-8-[(2-carboxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCN1CC2(CCN(Cc3ccccc3C(=O)O)CC2)C[C@@H]1C(=O)O
InChIInChI=1S/C18H24N2O4/c1-19-12-18(10-15(19)17(23)24)6-8-20(9-7-18)11-13-4-2-3-5-14(13)16(21)22/h2-5,15H,6-12H2,1H3,(H,21,22)(H,23,24)/t15-/m1/s1
InChIKeyWSVPRLQPNQYOTH-OAHLLOKOSA-N
MW332.40 g/mol
LogP1.76
Rot. Bonds4

About (3R)-8-[(2-carboxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

(3R)-8-[(2-carboxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 95724104) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is (3R)-8-[(2-carboxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-8-[(2-carboxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID95724104
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name(3R)-8-[(2-carboxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCN1CC2(CCN(Cc3ccccc3C(=O)O)CC2)C[C@@H]1C(=O)O
InChIInChI=1S/C18H24N2O4/c1-19-12-18(10-15(19)17(23)24)6-8-20(9-7-18)11-13-4-2-3-5-14(13)16(21)22/h2-5,15H,6-12H2,1H3,(H,21,22)(H,23,24)/t15-/m1/s1
InChIKeyWSVPRLQPNQYOTH-OAHLLOKOSA-N
XLogP1.76
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-8-[(2,3-dimethoxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95724819
(3R)-8-[(3-hydroxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95712072
(4S)-8-[(2-carboxyphenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97198034
(3R)-2-methyl-8-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95727856
(3S)-8-[(2-fluorophenyl)methylcarbamoyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95726385
2-methyl-8-[(2-propan-2-ylpyrimidin-4-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56915746
8-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56897239
2-acetyl-8-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 70719914
2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]benzoic acid
CID 62889305
(3S)-2-methyl-N-phenyl-8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 164634409
(3R)-2-propyl-8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95883084
5-benzyl-5-azaspiro[2.4]heptane-6-carboxylic acid
CID 67355077

Frequently Asked Questions

What is the IUPAC name of (3R)-8-[(2-carboxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of (3R)-8-[(2-carboxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 95724104) is (3R)-8-[(2-carboxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for (3R)-8-[(2-carboxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for (3R)-8-[(2-carboxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is CN1CC2(CCN(Cc3ccccc3C(=O)O)CC2)C[C@@H]1C(=O)O.
What is the InChIKey of (3R)-8-[(2-carboxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is WSVPRLQPNQYOTH-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-19-12-18(10-15(19)17(23)24)6-8-20(9-7-18)11-13-4-2-3-5-14(13)16(21)22/h2-5,15H,6-12H2,1H3,(H,21,22)(H,23,24)/t15-/m1/s1.
What are the key properties of (3R)-8-[(2-carboxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
(3R)-8-[(2-carboxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 332.40 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-[(2-carboxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 95724104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).