2-amino-5-cycloheptyl-1H-imidazole-4-carboxylic acid

C11H17N3O2 — CID 105480565

IUPAC2-amino-5-cycloheptyl-1H-imidazole-4-carboxylic acid
SMILESNc1nc(C(=O)O)c(C2CCCCCC2)[nH]1
InChIInChI=1S/C11H17N3O2/c12-11-13-8(9(14-11)10(15)16)7-5-3-1-2-4-6-7/h7H,1-6H2,(H,15,16)(H3,12,13,14)
InChIKeyLNRMQAINYAILGT-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.13
Rot. Bonds2

About 2-amino-5-cycloheptyl-1H-imidazole-4-carboxylic acid

2-amino-5-cycloheptyl-1H-imidazole-4-carboxylic acid (PubChem CID 105480565) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-amino-5-cycloheptyl-1H-imidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-cycloheptyl-1H-imidazole-4-carboxylic acid
PubChem CID105480565
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-amino-5-cycloheptyl-1H-imidazole-4-carboxylic acid
SMILESNc1nc(C(=O)O)c(C2CCCCCC2)[nH]1
InChIInChI=1S/C11H17N3O2/c12-11-13-8(9(14-11)10(15)16)7-5-3-1-2-4-6-7/h7H,1-6H2,(H,15,16)(H3,12,13,14)
InChIKeyLNRMQAINYAILGT-UHFFFAOYSA-N
XLogP2.13
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-cycloheptyl-1H-imidazole-4-carboxylic acid?
The IUPAC name of 2-amino-5-cycloheptyl-1H-imidazole-4-carboxylic acid (CID 105480565) is 2-amino-5-cycloheptyl-1H-imidazole-4-carboxylic acid.
What is the SMILES notation for 2-amino-5-cycloheptyl-1H-imidazole-4-carboxylic acid?
The canonical SMILES for 2-amino-5-cycloheptyl-1H-imidazole-4-carboxylic acid is Nc1nc(C(=O)O)c(C2CCCCCC2)[nH]1.
What is the InChIKey of 2-amino-5-cycloheptyl-1H-imidazole-4-carboxylic acid?
The InChIKey is LNRMQAINYAILGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c12-11-13-8(9(14-11)10(15)16)7-5-3-1-2-4-6-7/h7H,1-6H2,(H,15,16)(H3,12,13,14).
What are the key properties of 2-amino-5-cycloheptyl-1H-imidazole-4-carboxylic acid?
2-amino-5-cycloheptyl-1H-imidazole-4-carboxylic acid has a molecular weight of 223.28 g/mol, XLogP of 2.13, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-cycloheptyl-1H-imidazole-4-carboxylic acid is sourced from PubChem (CID 105480565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).