3-ethyl-2-[4-[(2S)-2-methyl-4-oxoazetidin-1-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid

C19H31N3O3 — CID 155034220

IUPAC3-ethyl-2-[4-[(2S)-2-methyl-4-oxoazetidin-1-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
SMILESCCC1C(N2CCC(N3C(=O)C[C@@H]3C)CC2)CC12CCN(C(=O)O)C2
InChIInChI=1S/C19H31N3O3/c1-3-15-16(11-19(15)6-9-21(12-19)18(24)25)20-7-4-14(5-8-20)22-13(2)10-17(22)23/h13-16H,3-12H2,1-2H3,(H,24,25)/t13-,15?,16?,19?/m0/s1
InChIKeyWMCFTIFOSDBZOX-PXLHRZOGSA-N
MW349.48 g/mol
LogP2.24
Rot. Bonds3

About 3-ethyl-2-[4-[(2S)-2-methyl-4-oxoazetidin-1-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid

3-ethyl-2-[4-[(2S)-2-methyl-4-oxoazetidin-1-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid (PubChem CID 155034220) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is 3-ethyl-2-[4-[(2S)-2-methyl-4-oxoazetidin-1-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-2-[4-[(2S)-2-methyl-4-oxoazetidin-1-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
PubChem CID155034220
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name3-ethyl-2-[4-[(2S)-2-methyl-4-oxoazetidin-1-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
SMILESCCC1C(N2CCC(N3C(=O)C[C@@H]3C)CC2)CC12CCN(C(=O)O)C2
InChIInChI=1S/C19H31N3O3/c1-3-15-16(11-19(15)6-9-21(12-19)18(24)25)20-7-4-14(5-8-20)22-13(2)10-17(22)23/h13-16H,3-12H2,1-2H3,(H,24,25)/t13-,15?,16?,19?/m0/s1
InChIKeyWMCFTIFOSDBZOX-PXLHRZOGSA-N
XLogP2.24
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-2-[4-[(2S)-2-methyl-4-oxoazetidin-1-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl]-3-ethyl-6-azaspiro[3.4]octane-6-carboxylic acid
CID 155034219
3-ethyl-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
CID 135145037
2-[4-[acetyl(2,2-difluoroethyl)amino]piperidin-1-yl]-3-ethyl-6-azaspiro[3.4]octane-6-carboxylic acid
CID 155407789
3-ethyl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
CID 135144771
3-ethyl-2-[4-(2-methylpropylcarbamoyl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
CID 141395780
2-[4-[acetyl-(2-fluoro-2-methylpropyl)amino]piperidin-1-yl]-3-ethyl-6-azaspiro[3.4]octane-6-carboxylic acid
CID 155407818
3-ethyl-2-[4-[methoxycarbonyl(propan-2-yl)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
CID 155407873
3-ethyl-2-[4-[(2R,4R)-4-fluoro-2-methoxycarbonylpyrrolidin-1-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
CID 135383297
3-ethyl-2-[4-[methoxycarbonyl(oxetan-3-yl)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
CID 155408224
(3S)-3-[4-[(3aR,7aS)-2-oxo-3a,4,5,6,7,7a-hexahydro-3H-indol-1-yl]piperidin-1-yl]-2-ethylpyrrolidine-1-carboxylic acid
CID 67214803
ethyl 6-[4-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]piperidin-1-yl]-2-azaspiro[3.3]heptane-2-carboxylate
CID 126526028
4-[4-[(7aS)-2-oxo-3a,4,5,6,7,7a-hexahydro-3H-indol-1-yl]piperidin-1-yl]-4-methylpiperidine-1-carboxylic acid
CID 123400376

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[4-[(2S)-2-methyl-4-oxoazetidin-1-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid?
The IUPAC name of 3-ethyl-2-[4-[(2S)-2-methyl-4-oxoazetidin-1-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid (CID 155034220) is 3-ethyl-2-[4-[(2S)-2-methyl-4-oxoazetidin-1-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid.
What is the SMILES notation for 3-ethyl-2-[4-[(2S)-2-methyl-4-oxoazetidin-1-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid?
The canonical SMILES for 3-ethyl-2-[4-[(2S)-2-methyl-4-oxoazetidin-1-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid is CCC1C(N2CCC(N3C(=O)C[C@@H]3C)CC2)CC12CCN(C(=O)O)C2.
What is the InChIKey of 3-ethyl-2-[4-[(2S)-2-methyl-4-oxoazetidin-1-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid?
The InChIKey is WMCFTIFOSDBZOX-PXLHRZOGSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-3-15-16(11-19(15)6-9-21(12-19)18(24)25)20-7-4-14(5-8-20)22-13(2)10-17(22)23/h13-16H,3-12H2,1-2H3,(H,24,25)/t13-,15?,16?,19?/m0/s1.
What are the key properties of 3-ethyl-2-[4-[(2S)-2-methyl-4-oxoazetidin-1-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid?
3-ethyl-2-[4-[(2S)-2-methyl-4-oxoazetidin-1-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid has a molecular weight of 349.48 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[4-[(2S)-2-methyl-4-oxoazetidin-1-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid is sourced from PubChem (CID 155034220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).