acetic acid;2-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carboxylic acid

C19H29N3O7 — CID 154921869

IUPACacetic acid;2-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carboxylic acid
SMILESCC(=O)O.CC(=O)O.CN1CCC2(CC1)CN(c1ncccc1C(=O)O)CCO2
InChIInChI=1S/C15H21N3O3.2C2H4O2/c1-17-7-4-15(5-8-17)11-18(9-10-21-15)13-12(14(19)20)3-2-6-16-13;2*1-2(3)4/h2-3,6H,4-5,7-11H2,1H3,(H,19,20);2*1H3,(H,3,4)
InChIKeyQVJPRDMNZPWKOY-UHFFFAOYSA-N
MW411.46 g/mol
LogP1.26
Rot. Bonds2

About acetic acid;2-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carboxylic acid

acetic acid;2-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carboxylic acid (PubChem CID 154921869) has the molecular formula C19H29N3O7 and a molecular weight of 411.46 g/mol. Its IUPAC name is acetic acid;2-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Nameacetic acid;2-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carboxylic acid
PubChem CID154921869
Molecular FormulaC19H29N3O7
Molecular Weight411.46 g/mol
Exact Mass411.20
IUPAC Nameacetic acid;2-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carboxylic acid
SMILESCC(=O)O.CC(=O)O.CN1CCC2(CC1)CN(c1ncccc1C(=O)O)CCO2
InChIInChI=1S/C15H21N3O3.2C2H4O2/c1-17-7-4-15(5-8-17)11-18(9-10-21-15)13-12(14(19)20)3-2-6-16-13;2*1-2(3)4/h2-3,6H,4-5,7-11H2,1H3,(H,19,20);2*1H3,(H,3,4)
InChIKeyQVJPRDMNZPWKOY-UHFFFAOYSA-N
XLogP1.26
TPSA140.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze acetic acid;2-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carboxylic acid with MolForge

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Related Compounds

5-chloro-6-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carboxylic acid
CID 138383282
9-methyl-4-(1,3-thiazol-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 138380428
1-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone
CID 56692641
2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 2794739
9-methyl-4-(4-methylpyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 138378631
tert-butyl 4-(3-nitro-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
CID 134394499
2-(3,4-dimethylpyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 79181220
1-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 138382516
2-(2-ethylmorpholin-4-yl)pyridine-3-carboxylic acid
CID 43420791
2-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 43421741
4-(5-chloro-2-pyridinyl)-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 138382286
(2,2-dimethylmorpholin-4-yl)-(2-piperidin-1-yl-3-pyridinyl)methanone
CID 56813848

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carboxylic acid?
The IUPAC name of acetic acid;2-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carboxylic acid (CID 154921869) is acetic acid;2-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for acetic acid;2-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carboxylic acid?
The canonical SMILES for acetic acid;2-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carboxylic acid is CC(=O)O.CC(=O)O.CN1CCC2(CC1)CN(c1ncccc1C(=O)O)CCO2.
What is the InChIKey of acetic acid;2-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carboxylic acid?
The InChIKey is QVJPRDMNZPWKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3.2C2H4O2/c1-17-7-4-15(5-8-17)11-18(9-10-21-15)13-12(14(19)20)3-2-6-16-13;2*1-2(3)4/h2-3,6H,4-5,7-11H2,1H3,(H,19,20);2*1H3,(H,3,4).
What are the key properties of acetic acid;2-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carboxylic acid?
acetic acid;2-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carboxylic acid has a molecular weight of 411.46 g/mol, XLogP of 1.26, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 154921869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).