8-(cyclopropanecarbonyl)-2-[(5-methylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C19H26N2O4 — CID 56902533

IUPAC8-(cyclopropanecarbonyl)-2-[(5-methylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCc1ccc(CN2CC3(CCN(C(=O)C4CC4)CC3)CC2C(=O)O)o1
InChIInChI=1S/C19H26N2O4/c1-13-2-5-15(25-13)11-21-12-19(10-16(21)18(23)24)6-8-20(9-7-19)17(22)14-3-4-14/h2,5,14,16H,3-4,6-12H2,1H3,(H,23,24)
InChIKeyICEJMDOTDFZBNG-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.27
Rot. Bonds4

About 8-(cyclopropanecarbonyl)-2-[(5-methylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid

8-(cyclopropanecarbonyl)-2-[(5-methylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 56902533) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 8-(cyclopropanecarbonyl)-2-[(5-methylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name8-(cyclopropanecarbonyl)-2-[(5-methylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID56902533
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name8-(cyclopropanecarbonyl)-2-[(5-methylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCc1ccc(CN2CC3(CCN(C(=O)C4CC4)CC3)CC2C(=O)O)o1
InChIInChI=1S/C19H26N2O4/c1-13-2-5-15(25-13)11-21-12-19(10-16(21)18(23)24)6-8-20(9-7-19)17(22)14-3-4-14/h2,5,14,16H,3-4,6-12H2,1H3,(H,23,24)
InChIKeyICEJMDOTDFZBNG-UHFFFAOYSA-N
XLogP2.27
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-(cyclopropanecarbonyl)-2-[(5-methylfuran-2-yl)methyl]-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

1-(5-Methylfuran-2-carbonyl)piperidine-2-carboxylic acid
CID 573285
1-(5-Methyl-furan-2-ylmethyl)-piperidine-4-carboxylic acid (3-methyl-butyl)-amide
CID 650546
furan-2-yl-[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 3233749
1-(3-Methylfuran-2-carbonyl)piperidine-2-carboxylic acid
CID 3150890
1'-[(5-Ethyl-2-furyl)methyl]-4-(1-pyrrolidinylcarbonyl)-1,4'-bipiperidine
CID 24817753
8-[(5-Propyl-2-furyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 50954284
2-[Cyclopropyl(furan-2-ylmethyl)amino]-1-(4-methylpiperidin-1-yl)ethanone
CID 51076807
9-Methyl-3-[(5-propyl-2-furyl)methyl]-3,9-diazaspiro[5.6]dodecan-10-one
CID 56720180
2-(Cyclopropylcarbonyl)-8-[(4,5-dimethyl-2-furyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56891705
9-(Cyclopropylmethyl)-4-[(5-ethyl-2-furyl)methyl]-1-methyl-1,4,9-triazaspiro[5.6]dodecan-10-one
CID 70718745
2-(2-Hydroxyethyl)-9-[(5-propyl-2-furyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70758648
8-(Cyclopropanecarbonyl)-2-[(4,5-dimethylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 70771766

Frequently Asked Questions

What is the IUPAC name of 8-(cyclopropanecarbonyl)-2-[(5-methylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 8-(cyclopropanecarbonyl)-2-[(5-methylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 56902533) is 8-(cyclopropanecarbonyl)-2-[(5-methylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 8-(cyclopropanecarbonyl)-2-[(5-methylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 8-(cyclopropanecarbonyl)-2-[(5-methylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is Cc1ccc(CN2CC3(CCN(C(=O)C4CC4)CC3)CC2C(=O)O)o1.
What is the InChIKey of 8-(cyclopropanecarbonyl)-2-[(5-methylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is ICEJMDOTDFZBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-13-2-5-15(25-13)11-21-12-19(10-16(21)18(23)24)6-8-20(9-7-19)17(22)14-3-4-14/h2,5,14,16H,3-4,6-12H2,1H3,(H,23,24).
What are the key properties of 8-(cyclopropanecarbonyl)-2-[(5-methylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
8-(cyclopropanecarbonyl)-2-[(5-methylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 346.43 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopropanecarbonyl)-2-[(5-methylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 56902533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).