4-(furan-2-carbonyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid

C14H18N2O5 — CID 75360343

IUPAC4-(furan-2-carbonyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCN1CCC2(CC1)OCC(C(=O)O)N2C(=O)c1ccco1
InChIInChI=1S/C14H18N2O5/c1-15-6-4-14(5-7-15)16(10(9-21-14)13(18)19)12(17)11-3-2-8-20-11/h2-3,8,10H,4-7,9H2,1H3,(H,18,19)
InChIKeyNVLQAYGMTUFSRB-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.63
Rot. Bonds2

About 4-(furan-2-carbonyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid

4-(furan-2-carbonyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 75360343) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-(furan-2-carbonyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name4-(furan-2-carbonyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID75360343
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name4-(furan-2-carbonyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCN1CCC2(CC1)OCC(C(=O)O)N2C(=O)c1ccco1
InChIInChI=1S/C14H18N2O5/c1-15-6-4-14(5-7-15)16(10(9-21-14)13(18)19)12(17)11-3-2-8-20-11/h2-3,8,10H,4-7,9H2,1H3,(H,18,19)
InChIKeyNVLQAYGMTUFSRB-UHFFFAOYSA-N
XLogP0.63
TPSA83.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,8-bis(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 42820133
(3R)-8-methyl-4-(naphthalene-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95658048
4-(3-bromobenzoyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 75360357
(3S)-4-(3-fluorobenzoyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95658043
4-(3,5-difluorobenzoyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 75360373
(3R)-4-(3,5-difluorobenzoyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95658098
(3S)-4-(3-methoxybenzoyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95658061
(3R)-4-(3-methoxybenzoyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95658062
N-benzyl-8-(2,2-dimethylpropanoyl)-4-(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 71954888
4-(furan-2-carbonyl)-N-(furan-2-ylmethyl)-8-(2-methylpropanoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 42821086
[8-(2-fluorobenzoyl)-4-(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-yl]-pyrrolidin-1-ylmethanone
CID 71956094
(3S)-4-(2-phenylacetyl)-8-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95658290

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-carbonyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 4-(furan-2-carbonyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 75360343) is 4-(furan-2-carbonyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 4-(furan-2-carbonyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 4-(furan-2-carbonyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid is CN1CCC2(CC1)OCC(C(=O)O)N2C(=O)c1ccco1.
What is the InChIKey of 4-(furan-2-carbonyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is NVLQAYGMTUFSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-15-6-4-14(5-7-15)16(10(9-21-14)13(18)19)12(17)11-3-2-8-20-11/h2-3,8,10H,4-7,9H2,1H3,(H,18,19).
What are the key properties of 4-(furan-2-carbonyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid?
4-(furan-2-carbonyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 294.31 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-carbonyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 75360343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).