4-[(3-propylimidazol-4-yl)methyl]morpholine-2-carboxylic acid

C12H19N3O3 — CID 66129464

IUPAC4-[(3-propylimidazol-4-yl)methyl]morpholine-2-carboxylic acid
SMILESCCCn1cncc1CN1CCOC(C(=O)O)C1
InChIInChI=1S/C12H19N3O3/c1-2-3-15-9-13-6-10(15)7-14-4-5-18-11(8-14)12(16)17/h6,9,11H,2-5,7-8H2,1H3,(H,16,17)
InChIKeyDHZIDVLMLXDAIZ-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.58
Rot. Bonds5

About 4-[(3-propylimidazol-4-yl)methyl]morpholine-2-carboxylic acid

4-[(3-propylimidazol-4-yl)methyl]morpholine-2-carboxylic acid (PubChem CID 66129464) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-[(3-propylimidazol-4-yl)methyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(3-propylimidazol-4-yl)methyl]morpholine-2-carboxylic acid
PubChem CID66129464
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name4-[(3-propylimidazol-4-yl)methyl]morpholine-2-carboxylic acid
SMILESCCCn1cncc1CN1CCOC(C(=O)O)C1
InChIInChI=1S/C12H19N3O3/c1-2-3-15-9-13-6-10(15)7-14-4-5-18-11(8-14)12(16)17/h6,9,11H,2-5,7-8H2,1H3,(H,16,17)
InChIKeyDHZIDVLMLXDAIZ-UHFFFAOYSA-N
XLogP0.58
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-propylimidazol-4-yl)methyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[(3-propylimidazol-4-yl)methyl]morpholine-2-carboxylic acid (CID 66129464) is 4-[(3-propylimidazol-4-yl)methyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[(3-propylimidazol-4-yl)methyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[(3-propylimidazol-4-yl)methyl]morpholine-2-carboxylic acid is CCCn1cncc1CN1CCOC(C(=O)O)C1.
What is the InChIKey of 4-[(3-propylimidazol-4-yl)methyl]morpholine-2-carboxylic acid?
The InChIKey is DHZIDVLMLXDAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-2-3-15-9-13-6-10(15)7-14-4-5-18-11(8-14)12(16)17/h6,9,11H,2-5,7-8H2,1H3,(H,16,17).
What are the key properties of 4-[(3-propylimidazol-4-yl)methyl]morpholine-2-carboxylic acid?
4-[(3-propylimidazol-4-yl)methyl]morpholine-2-carboxylic acid has a molecular weight of 253.30 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-propylimidazol-4-yl)methyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 66129464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).