4-(1-ethylimidazol-2-yl)morpholine-2-carboxylic acid

C10H15N3O3 — CID 62138211

IUPAC4-(1-ethylimidazol-2-yl)morpholine-2-carboxylic acid
SMILESCCn1ccnc1N1CCOC(C(=O)O)C1
InChIInChI=1S/C10H15N3O3/c1-2-12-4-3-11-10(12)13-5-6-16-8(7-13)9(14)15/h3-4,8H,2,5-7H2,1H3,(H,14,15)
InChIKeyFBTOTHRMJFXPIH-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.19
Rot. Bonds3

About 4-(1-ethylimidazol-2-yl)morpholine-2-carboxylic acid

4-(1-ethylimidazol-2-yl)morpholine-2-carboxylic acid (PubChem CID 62138211) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-(1-ethylimidazol-2-yl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(1-ethylimidazol-2-yl)morpholine-2-carboxylic acid
PubChem CID62138211
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name4-(1-ethylimidazol-2-yl)morpholine-2-carboxylic acid
SMILESCCn1ccnc1N1CCOC(C(=O)O)C1
InChIInChI=1S/C10H15N3O3/c1-2-12-4-3-11-10(12)13-5-6-16-8(7-13)9(14)15/h3-4,8H,2,5-7H2,1H3,(H,14,15)
InChIKeyFBTOTHRMJFXPIH-UHFFFAOYSA-N
XLogP0.19
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylimidazol-2-yl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(1-ethylimidazol-2-yl)morpholine-2-carboxylic acid (CID 62138211) is 4-(1-ethylimidazol-2-yl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(1-ethylimidazol-2-yl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(1-ethylimidazol-2-yl)morpholine-2-carboxylic acid is CCn1ccnc1N1CCOC(C(=O)O)C1.
What is the InChIKey of 4-(1-ethylimidazol-2-yl)morpholine-2-carboxylic acid?
The InChIKey is FBTOTHRMJFXPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-2-12-4-3-11-10(12)13-5-6-16-8(7-13)9(14)15/h3-4,8H,2,5-7H2,1H3,(H,14,15).
What are the key properties of 4-(1-ethylimidazol-2-yl)morpholine-2-carboxylic acid?
4-(1-ethylimidazol-2-yl)morpholine-2-carboxylic acid has a molecular weight of 225.25 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylimidazol-2-yl)morpholine-2-carboxylic acid is sourced from PubChem (CID 62138211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).