2-[1-(oxolane-3-carbonylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid

C13H17N3O4 — CID 61270501

IUPAC2-[1-(oxolane-3-carbonylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1cnc(C2(NC(=O)C3CCOC3)CCC2)[nH]1
InChIInChI=1S/C13H17N3O4/c17-10(8-2-5-20-7-8)16-13(3-1-4-13)12-14-6-9(15-12)11(18)19/h6,8H,1-5,7H2,(H,14,15)(H,16,17)(H,18,19)
InChIKeyNVMCTRDPZRHRKF-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.64
Rot. Bonds4

About 2-[1-(oxolane-3-carbonylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid

2-[1-(oxolane-3-carbonylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid (PubChem CID 61270501) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-[1-(oxolane-3-carbonylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[1-(oxolane-3-carbonylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid
PubChem CID61270501
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name2-[1-(oxolane-3-carbonylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1cnc(C2(NC(=O)C3CCOC3)CCC2)[nH]1
InChIInChI=1S/C13H17N3O4/c17-10(8-2-5-20-7-8)16-13(3-1-4-13)12-14-6-9(15-12)11(18)19/h6,8H,1-5,7H2,(H,14,15)(H,16,17)(H,18,19)
InChIKeyNVMCTRDPZRHRKF-UHFFFAOYSA-N
XLogP0.64
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(oxolane-3-carbonylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-[1-(oxolane-3-carbonylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid (CID 61270501) is 2-[1-(oxolane-3-carbonylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-[1-(oxolane-3-carbonylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-[1-(oxolane-3-carbonylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid is O=C(O)c1cnc(C2(NC(=O)C3CCOC3)CCC2)[nH]1.
What is the InChIKey of 2-[1-(oxolane-3-carbonylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid?
The InChIKey is NVMCTRDPZRHRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c17-10(8-2-5-20-7-8)16-13(3-1-4-13)12-14-6-9(15-12)11(18)19/h6,8H,1-5,7H2,(H,14,15)(H,16,17)(H,18,19).
What are the key properties of 2-[1-(oxolane-3-carbonylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid?
2-[1-(oxolane-3-carbonylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxolane-3-carbonylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 61270501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).