(3S)-8-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C19H29N3O4 — CID 95868038

IUPAC(3S)-8-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCCCN1CC2(CCN(C(=O)c3cc(C(C)C)on3)CC2)C[C@H]1C(=O)O
InChIInChI=1S/C19H29N3O4/c1-4-7-22-12-19(11-15(22)18(24)25)5-8-21(9-6-19)17(23)14-10-16(13(2)3)26-20-14/h10,13,15H,4-9,11-12H2,1-3H3,(H,24,25)/t15-/m0/s1
InChIKeyAMLVTUXIYXAKTG-HNNXBMFYSA-N
MW363.46 g/mol
LogP2.59
Rot. Bonds5

About (3S)-8-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

(3S)-8-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 95868038) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is (3S)-8-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-8-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID95868038
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Name(3S)-8-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCCCN1CC2(CCN(C(=O)c3cc(C(C)C)on3)CC2)C[C@H]1C(=O)O
InChIInChI=1S/C19H29N3O4/c1-4-7-22-12-19(11-15(22)18(24)25)5-8-21(9-6-19)17(23)14-10-16(13(2)3)26-20-14/h10,13,15H,4-9,11-12H2,1-3H3,(H,24,25)/t15-/m0/s1
InChIKeyAMLVTUXIYXAKTG-HNNXBMFYSA-N
XLogP2.59
TPSA86.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-8-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

8-(1-methylpyrazole-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 70725662
(3S)-2-propyl-8-(5-propyl-1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95893616
(3S)-8-(2,5-dimethylfuran-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95874960
8-(2-methylpyrimidine-5-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56903968
(3S)-8-(3-hydroxypyridine-2-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95880584
(3R)-2-propyl-8-(1H-pyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95897333
(3S)-8-(3-hydroxybenzoyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95861164
8-(5-methyl-1,2,4-oxadiazol-3-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56909362
2-[(3S)-3-carboxy-2-propyl-2,8-diazaspiro[4.5]decan-8-yl]-1,3-oxazole-4-carboxylic acid
CID 95894173
[4-(1-adamantyl)piperazin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 56904026
(3S)-2-propyl-8-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95888767
(3S)-2-propyl-8-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95868514

Frequently Asked Questions

What is the IUPAC name of (3S)-8-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of (3S)-8-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 95868038) is (3S)-8-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for (3S)-8-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for (3S)-8-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is CCCN1CC2(CCN(C(=O)c3cc(C(C)C)on3)CC2)C[C@H]1C(=O)O.
What is the InChIKey of (3S)-8-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is AMLVTUXIYXAKTG-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-4-7-22-12-19(11-15(22)18(24)25)5-8-21(9-6-19)17(23)14-10-16(13(2)3)26-20-14/h10,13,15H,4-9,11-12H2,1-3H3,(H,24,25)/t15-/m0/s1.
What are the key properties of (3S)-8-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
(3S)-8-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 363.46 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-8-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 95868038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).