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

C9H13N3O3 — CID 62133079

IUPAC4-(1-methylimidazol-2-yl)morpholine-2-carboxylic acid
SMILESCn1ccnc1N1CCOC(C(=O)O)C1
InChIInChI=1S/C9H13N3O3/c1-11-3-2-10-9(11)12-4-5-15-7(6-12)8(13)14/h2-3,7H,4-6H2,1H3,(H,13,14)
InChIKeyIKIINHVIICSWSE-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.29
Rot. Bonds2

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

4-(1-methylimidazol-2-yl)morpholine-2-carboxylic acid (PubChem CID 62133079) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 4-(1-methylimidazol-2-yl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(1-methylimidazol-2-yl)morpholine-2-carboxylic acid
PubChem CID62133079
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name4-(1-methylimidazol-2-yl)morpholine-2-carboxylic acid
SMILESCn1ccnc1N1CCOC(C(=O)O)C1
InChIInChI=1S/C9H13N3O3/c1-11-3-2-10-9(11)12-4-5-15-7(6-12)8(13)14/h2-3,7H,4-6H2,1H3,(H,13,14)
InChIKeyIKIINHVIICSWSE-UHFFFAOYSA-N
XLogP-0.29
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(1-methylimidazol-2-yl)morpholine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylimidazol-2-yl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(1-methylimidazol-2-yl)morpholine-2-carboxylic acid (CID 62133079) is 4-(1-methylimidazol-2-yl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(1-methylimidazol-2-yl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(1-methylimidazol-2-yl)morpholine-2-carboxylic acid is Cn1ccnc1N1CCOC(C(=O)O)C1.
What is the InChIKey of 4-(1-methylimidazol-2-yl)morpholine-2-carboxylic acid?
The InChIKey is IKIINHVIICSWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-11-3-2-10-9(11)12-4-5-15-7(6-12)8(13)14/h2-3,7H,4-6H2,1H3,(H,13,14).
What are the key properties of 4-(1-methylimidazol-2-yl)morpholine-2-carboxylic acid?
4-(1-methylimidazol-2-yl)morpholine-2-carboxylic acid has a molecular weight of 211.22 g/mol, XLogP of -0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylimidazol-2-yl)morpholine-2-carboxylic acid is sourced from PubChem (CID 62133079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).