(3S)-8-(4,6-dimethylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C17H23N3O3 — CID 97120302

IUPAC(3S)-8-(4,6-dimethylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)N2CCC3(CC2)CN[C@H](C(=O)O)C3)cn1
InChIInChI=1S/C17H23N3O3/c1-11-7-12(2)18-9-13(11)15(21)20-5-3-17(4-6-20)8-14(16(22)23)19-10-17/h7,9,14,19H,3-6,8,10H2,1-2H3,(H,22,23)/t14-/m0/s1
InChIKeyQTEVBZFRUJCXCC-AWEZNQCLSA-N
MW317.39 g/mol
LogP1.37
Rot. Bonds2

About (3S)-8-(4,6-dimethylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

(3S)-8-(4,6-dimethylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 97120302) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is (3S)-8-(4,6-dimethylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-8-(4,6-dimethylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID97120302
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name(3S)-8-(4,6-dimethylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)N2CCC3(CC2)CN[C@H](C(=O)O)C3)cn1
InChIInChI=1S/C17H23N3O3/c1-11-7-12(2)18-9-13(11)15(21)20-5-3-17(4-6-20)8-14(16(22)23)19-10-17/h7,9,14,19H,3-6,8,10H2,1-2H3,(H,22,23)/t14-/m0/s1
InChIKeyQTEVBZFRUJCXCC-AWEZNQCLSA-N
XLogP1.37
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-8-(4,6-dimethylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-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

(3S)-8-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 97135110
8-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 72875320
8-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56915366
(3R)-8-[2-(ethylamino)-4-methyl-1,3-thiazole-5-carbonyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 97137582
(3S)-8-(5-methyl-1,3,4-thiadiazol-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 97122563
(3R)-8-(2-chloro-6-fluorobenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 97153688
4,6-dimethylpyridine-3-carboxylic acid
CID 817290
(3R)-8-(3-pyridin-4-ylpropanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 97150471
8-azaspiro[4.5]decan-8-yl-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone
CID 81245839
(3R)-8-[(4-methoxy-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95873944
8-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56914914
(4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-(5-methoxy-2-methyl-4-pyridinyl)methanone
CID 171913809

Frequently Asked Questions

What is the IUPAC name of (3S)-8-(4,6-dimethylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of (3S)-8-(4,6-dimethylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 97120302) is (3S)-8-(4,6-dimethylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for (3S)-8-(4,6-dimethylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for (3S)-8-(4,6-dimethylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is Cc1cc(C)c(C(=O)N2CCC3(CC2)CN[C@H](C(=O)O)C3)cn1.
What is the InChIKey of (3S)-8-(4,6-dimethylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is QTEVBZFRUJCXCC-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-11-7-12(2)18-9-13(11)15(21)20-5-3-17(4-6-20)8-14(16(22)23)19-10-17/h7,9,14,19H,3-6,8,10H2,1-2H3,(H,22,23)/t14-/m0/s1.
What are the key properties of (3S)-8-(4,6-dimethylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
(3S)-8-(4,6-dimethylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 317.39 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-8-(4,6-dimethylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 97120302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).