8-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C19H27N3O3 — CID 56914914

IUPAC8-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCc1ccccc1CNC(=O)CN1CCC2(CC1)CNC(C(=O)O)C2
InChIInChI=1S/C19H27N3O3/c1-14-4-2-3-5-15(14)11-20-17(23)12-22-8-6-19(7-9-22)10-16(18(24)25)21-13-19/h2-5,16,21H,6-13H2,1H3,(H,20,23)(H,24,25)
InChIKeyXWKVEAXACCJGMT-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.14
Rot. Bonds5

About 8-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid

8-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 56914914) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 8-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name8-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID56914914
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name8-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCc1ccccc1CNC(=O)CN1CCC2(CC1)CNC(C(=O)O)C2
InChIInChI=1S/C19H27N3O3/c1-14-4-2-3-5-15(14)11-20-17(23)12-22-8-6-19(7-9-22)10-16(18(24)25)21-13-19/h2-5,16,21H,6-13H2,1H3,(H,20,23)(H,24,25)
InChIKeyXWKVEAXACCJGMT-UHFFFAOYSA-N
XLogP1.14
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 8-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid with MolForge

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Related Compounds

1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119904532
1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-1,4-diazepane-6-carboxylic acid
CID 74231746
N-[(2-methylphenyl)methyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 30738049
N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 108996675
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 8693460
2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 9257577
2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 8688511
N-(5-bromo-2-pyridinyl)-1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 60548150
8-[(5-carboxy-2-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56904104
4-(2-anilino-2-oxoethyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 87000001
2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 30723158
2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 60505271

Frequently Asked Questions

What is the IUPAC name of 8-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 8-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 56914914) is 8-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 8-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 8-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is Cc1ccccc1CNC(=O)CN1CCC2(CC1)CNC(C(=O)O)C2.
What is the InChIKey of 8-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is XWKVEAXACCJGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-14-4-2-3-5-15(14)11-20-17(23)12-22-8-6-19(7-9-22)10-16(18(24)25)21-13-19/h2-5,16,21H,6-13H2,1H3,(H,20,23)(H,24,25).
What are the key properties of 8-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
8-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 345.44 g/mol, XLogP of 1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 56914914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).