methyl 4-(4-amino-2-pyridinyl)morpholine-2-carboxylate

C11H15N3O3 — CID 114053213

IUPACmethyl 4-(4-amino-2-pyridinyl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(c2cc(N)ccn2)CCO1
InChIInChI=1S/C11H15N3O3/c1-16-11(15)9-7-14(4-5-17-9)10-6-8(12)2-3-13-10/h2-3,6,9H,4-5,7H2,1H3,(H2,12,13)
InChIKeyRCBVKTJJGVTESG-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.04
Rot. Bonds2

About methyl 4-(4-amino-2-pyridinyl)morpholine-2-carboxylate

methyl 4-(4-amino-2-pyridinyl)morpholine-2-carboxylate (PubChem CID 114053213) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is methyl 4-(4-amino-2-pyridinyl)morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-amino-2-pyridinyl)morpholine-2-carboxylate
PubChem CID114053213
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Namemethyl 4-(4-amino-2-pyridinyl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(c2cc(N)ccn2)CCO1
InChIInChI=1S/C11H15N3O3/c1-16-11(15)9-7-14(4-5-17-9)10-6-8(12)2-3-13-10/h2-3,6,9H,4-5,7H2,1H3,(H2,12,13)
InChIKeyRCBVKTJJGVTESG-UHFFFAOYSA-N
XLogP0.04
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-(4-amino-2-pyridinyl)morpholine-2-carboxylate 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 methyl 4-(4-amino-2-pyridinyl)morpholine-2-carboxylate?
The IUPAC name of methyl 4-(4-amino-2-pyridinyl)morpholine-2-carboxylate (CID 114053213) is methyl 4-(4-amino-2-pyridinyl)morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-(4-amino-2-pyridinyl)morpholine-2-carboxylate?
The canonical SMILES for methyl 4-(4-amino-2-pyridinyl)morpholine-2-carboxylate is COC(=O)C1CN(c2cc(N)ccn2)CCO1.
What is the InChIKey of methyl 4-(4-amino-2-pyridinyl)morpholine-2-carboxylate?
The InChIKey is RCBVKTJJGVTESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-16-11(15)9-7-14(4-5-17-9)10-6-8(12)2-3-13-10/h2-3,6,9H,4-5,7H2,1H3,(H2,12,13).
What are the key properties of methyl 4-(4-amino-2-pyridinyl)morpholine-2-carboxylate?
methyl 4-(4-amino-2-pyridinyl)morpholine-2-carboxylate has a molecular weight of 237.26 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-amino-2-pyridinyl)morpholine-2-carboxylate is sourced from PubChem (CID 114053213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).