8-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C20H30N4O3 — CID 72879589

IUPAC8-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCN1C(=O)CC(C(=O)O)C12CCN(Cc1cnc(CC3CCCC3)[nH]1)CC2
InChIInChI=1S/C20H30N4O3/c1-23-18(25)11-16(19(26)27)20(23)6-8-24(9-7-20)13-15-12-21-17(22-15)10-14-4-2-3-5-14/h12,14,16H,2-11,13H2,1H3,(H,21,22)(H,26,27)
InChIKeyJFJPTEDXYAPCHN-UHFFFAOYSA-N
MW374.49 g/mol
LogP2.04
Rot. Bonds5

About 8-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

8-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 72879589) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 8-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name8-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID72879589
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name8-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCN1C(=O)CC(C(=O)O)C12CCN(Cc1cnc(CC3CCCC3)[nH]1)CC2
InChIInChI=1S/C20H30N4O3/c1-23-18(25)11-16(19(26)27)20(23)6-8-24(9-7-20)13-15-12-21-17(22-15)10-14-4-2-3-5-14/h12,14,16H,2-11,13H2,1H3,(H,21,22)(H,26,27)
InChIKeyJFJPTEDXYAPCHN-UHFFFAOYSA-N
XLogP2.04
TPSA89.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 8-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-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

Frequently Asked Questions

What is the IUPAC name of 8-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 8-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 72879589) is 8-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 8-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 8-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is CN1C(=O)CC(C(=O)O)C12CCN(Cc1cnc(CC3CCCC3)[nH]1)CC2.
What is the InChIKey of 8-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is JFJPTEDXYAPCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-23-18(25)11-16(19(26)27)20(23)6-8-24(9-7-20)13-15-12-21-17(22-15)10-14-4-2-3-5-14/h12,14,16H,2-11,13H2,1H3,(H,21,22)(H,26,27).
What are the key properties of 8-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
8-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 374.49 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 72879589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).