3-[2-(cyclopentylamino)-2-oxoethyl]-2-methylimidazole-4-carboxylic acid

C12H17N3O3 — CID 65172485

IUPAC3-[2-(cyclopentylamino)-2-oxoethyl]-2-methylimidazole-4-carboxylic acid
SMILESCc1ncc(C(=O)O)n1CC(=O)NC1CCCC1
InChIInChI=1S/C12H17N3O3/c1-8-13-6-10(12(17)18)15(8)7-11(16)14-9-4-2-3-5-9/h6,9H,2-5,7H2,1H3,(H,14,16)(H,17,18)
InChIKeySGLZWCYTGIPJBR-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.95
Rot. Bonds4

About 3-[2-(cyclopentylamino)-2-oxoethyl]-2-methylimidazole-4-carboxylic acid

3-[2-(cyclopentylamino)-2-oxoethyl]-2-methylimidazole-4-carboxylic acid (PubChem CID 65172485) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-[2-(cyclopentylamino)-2-oxoethyl]-2-methylimidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-(cyclopentylamino)-2-oxoethyl]-2-methylimidazole-4-carboxylic acid
PubChem CID65172485
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name3-[2-(cyclopentylamino)-2-oxoethyl]-2-methylimidazole-4-carboxylic acid
SMILESCc1ncc(C(=O)O)n1CC(=O)NC1CCCC1
InChIInChI=1S/C12H17N3O3/c1-8-13-6-10(12(17)18)15(8)7-11(16)14-9-4-2-3-5-9/h6,9H,2-5,7H2,1H3,(H,14,16)(H,17,18)
InChIKeySGLZWCYTGIPJBR-UHFFFAOYSA-N
XLogP0.95
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylimidazole-4-carboxylic acid
CID 65173009
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide
CID 114581619
1-[2-(cyclooctylamino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19622340
1-[2-(cyclopropylamino)-2-oxoethyl]-6-methyl-2-oxopyridine-3-carboxylic acid
CID 62874027
N-cyclopropyl-2-(2-methylimidazol-1-yl)acetamide
CID 60731702
2-(3-acetamido-6-methyl-2-oxo-1-pyridinyl)-N-cycloheptylacetamide
CID 87050345
N-cyclohexyl-2-(2,6-dimethyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide
CID 110429816
N-cyclopentyl-2-(4,11,13-trimethyl-6-oxo-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)acetamide
CID 50834031
2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazole-4-carboxylic acid
CID 65172704
3-[2-(cyclopropylamino)-2-oxoethyl]-2-methylbenzimidazole-4-carboxylic acid
CID 115932955
N-cyclopropyl-3-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)propanamide
CID 66341380
N-cyclopropyl-2-[4-(propan-2-ylamino)pyrazol-1-yl]acetamide
CID 60931819

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopentylamino)-2-oxoethyl]-2-methylimidazole-4-carboxylic acid?
The IUPAC name of 3-[2-(cyclopentylamino)-2-oxoethyl]-2-methylimidazole-4-carboxylic acid (CID 65172485) is 3-[2-(cyclopentylamino)-2-oxoethyl]-2-methylimidazole-4-carboxylic acid.
What is the SMILES notation for 3-[2-(cyclopentylamino)-2-oxoethyl]-2-methylimidazole-4-carboxylic acid?
The canonical SMILES for 3-[2-(cyclopentylamino)-2-oxoethyl]-2-methylimidazole-4-carboxylic acid is Cc1ncc(C(=O)O)n1CC(=O)NC1CCCC1.
What is the InChIKey of 3-[2-(cyclopentylamino)-2-oxoethyl]-2-methylimidazole-4-carboxylic acid?
The InChIKey is SGLZWCYTGIPJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-8-13-6-10(12(17)18)15(8)7-11(16)14-9-4-2-3-5-9/h6,9H,2-5,7H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 3-[2-(cyclopentylamino)-2-oxoethyl]-2-methylimidazole-4-carboxylic acid?
3-[2-(cyclopentylamino)-2-oxoethyl]-2-methylimidazole-4-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopentylamino)-2-oxoethyl]-2-methylimidazole-4-carboxylic acid is sourced from PubChem (CID 65172485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).