(3S)-4-(pyridine-3-carbonyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid

C15H18N2O4 — CID 95657787

IUPAC(3S)-4-(pyridine-3-carbonyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
SMILESO=C(O)[C@@H]1COC2(CCCCC2)N1C(=O)c1cccnc1
InChIInChI=1S/C15H18N2O4/c18-13(11-5-4-8-16-9-11)17-12(14(19)20)10-21-15(17)6-2-1-3-7-15/h4-5,8-9,12H,1-3,6-7,10H2,(H,19,20)/t12-/m0/s1
InChIKeyXRVUHARVJXPUMM-LBPRGKRZSA-N
MW290.32 g/mol
LogP1.67
Rot. Bonds2

About (3S)-4-(pyridine-3-carbonyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid

(3S)-4-(pyridine-3-carbonyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid (PubChem CID 95657787) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is (3S)-4-(pyridine-3-carbonyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-4-(pyridine-3-carbonyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
PubChem CID95657787
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name(3S)-4-(pyridine-3-carbonyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
SMILESO=C(O)[C@@H]1COC2(CCCCC2)N1C(=O)c1cccnc1
InChIInChI=1S/C15H18N2O4/c18-13(11-5-4-8-16-9-11)17-12(14(19)20)10-21-15(17)6-2-1-3-7-15/h4-5,8-9,12H,1-3,6-7,10H2,(H,19,20)/t12-/m0/s1
InChIKeyXRVUHARVJXPUMM-LBPRGKRZSA-N
XLogP1.67
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-8-methyl-4-(pyridine-3-carbonyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
CID 95657929
4-(3-fluorobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
CID 75360256
4-(3-methoxybenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
CID 75360265
(3S)-4-(4-chlorobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
CID 95657713
4-(2-chlorobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
CID 24715382
[(3R)-3-methyl-1-oxa-4-azaspiro[4.6]undecan-4-yl]-phenylmethanone
CID 101140234
(3R)-4-(4-chloro-3-nitrobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
CID 95657768
(3S)-4-(4-methyl-3-nitrobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
CID 95657771
phenyl-[(3S)-3-phenyl-1-oxa-4-azaspiro[4.4]nonan-4-yl]methanone
CID 10614697
(3S)-4-(3-methoxybenzoyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95658061
2-azaspiro[5.5]undecan-2-yl(pyridin-3-yl)methanone
CID 54582941
(3S)-4-(3-fluorobenzoyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95658043

Frequently Asked Questions

What is the IUPAC name of (3S)-4-(pyridine-3-carbonyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of (3S)-4-(pyridine-3-carbonyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid (CID 95657787) is (3S)-4-(pyridine-3-carbonyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for (3S)-4-(pyridine-3-carbonyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for (3S)-4-(pyridine-3-carbonyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid is O=C(O)[C@@H]1COC2(CCCCC2)N1C(=O)c1cccnc1.
What is the InChIKey of (3S)-4-(pyridine-3-carbonyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is XRVUHARVJXPUMM-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N2O4/c18-13(11-5-4-8-16-9-11)17-12(14(19)20)10-21-15(17)6-2-1-3-7-15/h4-5,8-9,12H,1-3,6-7,10H2,(H,19,20)/t12-/m0/s1.
What are the key properties of (3S)-4-(pyridine-3-carbonyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid?
(3S)-4-(pyridine-3-carbonyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(pyridine-3-carbonyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 95657787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).