methyl 4-(2-cyanopropyl)morpholine-3-carboxylate

C10H16N2O3 — CID 104774976

IUPACmethyl 4-(2-cyanopropyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1CC(C)C#N
InChIInChI=1S/C10H16N2O3/c1-8(5-11)6-12-3-4-15-7-9(12)10(13)14-2/h8-9H,3-4,6-7H2,1-2H3
InChIKeyLAJNKAGPCMWUHL-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.02
Rot. Bonds3

About methyl 4-(2-cyanopropyl)morpholine-3-carboxylate

methyl 4-(2-cyanopropyl)morpholine-3-carboxylate (PubChem CID 104774976) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is methyl 4-(2-cyanopropyl)morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-cyanopropyl)morpholine-3-carboxylate
PubChem CID104774976
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Namemethyl 4-(2-cyanopropyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1CC(C)C#N
InChIInChI=1S/C10H16N2O3/c1-8(5-11)6-12-3-4-15-7-9(12)10(13)14-2/h8-9H,3-4,6-7H2,1-2H3
InChIKeyLAJNKAGPCMWUHL-UHFFFAOYSA-N
XLogP0.02
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-(2-cyanopropyl)morpholine-3-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

methyl (3R)-4-(2-cyanoethyl)morpholine-3-carboxylate
CID 97300104
methyl 4-[2-(azetidin-1-yl)-2-oxoethyl]morpholine-3-carboxylate
CID 115670529
methyl 4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]morpholine-3-carboxylate
CID 106992909
methyl 4-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]morpholine-3-carboxylate
CID 115752681
methyl 4-(3-methylbut-2-enyl)morpholine-3-carboxylate
CID 115670618
methyl 4-(4-hydroxybutyl)morpholine-3-carboxylate
CID 115670600
methyl 4-(oxolan-3-ylmethyl)morpholine-3-carboxylate
CID 115670570
methyl 4-[(E)-but-2-enyl]morpholine-3-carboxylate
CID 115670620
methyl 4-(3-amino-2-phenylpropyl)morpholine-3-carboxylate
CID 104774500
methyl (3R)-4-[2-(cyclopropylamino)-2-oxoethyl]morpholine-3-carboxylate
CID 95786437
methyl 4-[3-(dimethylamino)-3-oxopropyl]morpholine-3-carboxylate
CID 115670530
methyl (3S)-4-[2-(cyclopropylamino)-2-oxoethyl]morpholine-3-carboxylate
CID 95786436

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-cyanopropyl)morpholine-3-carboxylate?
The IUPAC name of methyl 4-(2-cyanopropyl)morpholine-3-carboxylate (CID 104774976) is methyl 4-(2-cyanopropyl)morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-(2-cyanopropyl)morpholine-3-carboxylate?
The canonical SMILES for methyl 4-(2-cyanopropyl)morpholine-3-carboxylate is COC(=O)C1COCCN1CC(C)C#N.
What is the InChIKey of methyl 4-(2-cyanopropyl)morpholine-3-carboxylate?
The InChIKey is LAJNKAGPCMWUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-8(5-11)6-12-3-4-15-7-9(12)10(13)14-2/h8-9H,3-4,6-7H2,1-2H3.
What are the key properties of methyl 4-(2-cyanopropyl)morpholine-3-carboxylate?
methyl 4-(2-cyanopropyl)morpholine-3-carboxylate has a molecular weight of 212.25 g/mol, XLogP of 0.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-cyanopropyl)morpholine-3-carboxylate is sourced from PubChem (CID 104774976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).