4-[(1-ethylimidazol-2-yl)amino]oxolane-3-carboxylic acid

C10H15N3O3 — CID 66240502

IUPAC4-[(1-ethylimidazol-2-yl)amino]oxolane-3-carboxylic acid
SMILESCCn1ccnc1NC1COCC1C(=O)O
InChIInChI=1S/C10H15N3O3/c1-2-13-4-3-11-10(13)12-8-6-16-5-7(8)9(14)15/h3-4,7-8H,2,5-6H2,1H3,(H,11,12)(H,14,15)
InChIKeyDCLXVRPXOCSNDX-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.41
Rot. Bonds4

About 4-[(1-ethylimidazol-2-yl)amino]oxolane-3-carboxylic acid

4-[(1-ethylimidazol-2-yl)amino]oxolane-3-carboxylic acid (PubChem CID 66240502) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-[(1-ethylimidazol-2-yl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(1-ethylimidazol-2-yl)amino]oxolane-3-carboxylic acid
PubChem CID66240502
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name4-[(1-ethylimidazol-2-yl)amino]oxolane-3-carboxylic acid
SMILESCCn1ccnc1NC1COCC1C(=O)O
InChIInChI=1S/C10H15N3O3/c1-2-13-4-3-11-10(13)12-8-6-16-5-7(8)9(14)15/h3-4,7-8H,2,5-6H2,1H3,(H,11,12)(H,14,15)
InChIKeyDCLXVRPXOCSNDX-UHFFFAOYSA-N
XLogP0.41
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylimidazol-2-yl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(1-ethylimidazol-2-yl)amino]oxolane-3-carboxylic acid (CID 66240502) is 4-[(1-ethylimidazol-2-yl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(1-ethylimidazol-2-yl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(1-ethylimidazol-2-yl)amino]oxolane-3-carboxylic acid is CCn1ccnc1NC1COCC1C(=O)O.
What is the InChIKey of 4-[(1-ethylimidazol-2-yl)amino]oxolane-3-carboxylic acid?
The InChIKey is DCLXVRPXOCSNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-2-13-4-3-11-10(13)12-8-6-16-5-7(8)9(14)15/h3-4,7-8H,2,5-6H2,1H3,(H,11,12)(H,14,15).
What are the key properties of 4-[(1-ethylimidazol-2-yl)amino]oxolane-3-carboxylic acid?
4-[(1-ethylimidazol-2-yl)amino]oxolane-3-carboxylic acid has a molecular weight of 225.25 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylimidazol-2-yl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66240502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).