8-(cyclopropanecarbonyl)-2-[(3-propan-2-ylimidazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C20H30N4O3 — CID 56896543

IUPAC8-(cyclopropanecarbonyl)-2-[(3-propan-2-ylimidazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCC(C)n1cncc1CN1CC2(CCN(C(=O)C3CC3)CC2)CC1C(=O)O
InChIInChI=1S/C20H30N4O3/c1-14(2)24-13-21-10-16(24)11-23-12-20(9-17(23)19(26)27)5-7-22(8-6-20)18(25)15-3-4-15/h10,13-15,17H,3-9,11-12H2,1-2H3,(H,26,27)
InChIKeyGJLCQLGLAMHJJN-UHFFFAOYSA-N
MW374.49 g/mol
LogP2.14
Rot. Bonds5

About 8-(cyclopropanecarbonyl)-2-[(3-propan-2-ylimidazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid

8-(cyclopropanecarbonyl)-2-[(3-propan-2-ylimidazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 56896543) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 8-(cyclopropanecarbonyl)-2-[(3-propan-2-ylimidazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name8-(cyclopropanecarbonyl)-2-[(3-propan-2-ylimidazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID56896543
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name8-(cyclopropanecarbonyl)-2-[(3-propan-2-ylimidazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCC(C)n1cncc1CN1CC2(CCN(C(=O)C3CC3)CC2)CC1C(=O)O
InChIInChI=1S/C20H30N4O3/c1-14(2)24-13-21-10-16(24)11-23-12-20(9-17(23)19(26)27)5-7-22(8-6-20)18(25)15-3-4-15/h10,13-15,17H,3-9,11-12H2,1-2H3,(H,26,27)
InChIKeyGJLCQLGLAMHJJN-UHFFFAOYSA-N
XLogP2.14
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(cyclopropanecarbonyl)-2-[(3-propan-2-ylimidazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 8-(cyclopropanecarbonyl)-2-[(3-propan-2-ylimidazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 56896543) is 8-(cyclopropanecarbonyl)-2-[(3-propan-2-ylimidazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 8-(cyclopropanecarbonyl)-2-[(3-propan-2-ylimidazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 8-(cyclopropanecarbonyl)-2-[(3-propan-2-ylimidazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is CC(C)n1cncc1CN1CC2(CCN(C(=O)C3CC3)CC2)CC1C(=O)O.
What is the InChIKey of 8-(cyclopropanecarbonyl)-2-[(3-propan-2-ylimidazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is GJLCQLGLAMHJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-14(2)24-13-21-10-16(24)11-23-12-20(9-17(23)19(26)27)5-7-22(8-6-20)18(25)15-3-4-15/h10,13-15,17H,3-9,11-12H2,1-2H3,(H,26,27).
What are the key properties of 8-(cyclopropanecarbonyl)-2-[(3-propan-2-ylimidazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
8-(cyclopropanecarbonyl)-2-[(3-propan-2-ylimidazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 374.49 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopropanecarbonyl)-2-[(3-propan-2-ylimidazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 56896543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).