methyl 4-(2-methoxyethyl)-4-methylpyrrolidine-3-carboxylate

C10H19NO3 — CID 114486515

IUPACmethyl 4-(2-methoxyethyl)-4-methylpyrrolidine-3-carboxylate
SMILESCOCCC1(C)CNCC1C(=O)OC
InChIInChI=1S/C10H19NO3/c1-10(4-5-13-2)7-11-6-8(10)9(12)14-3/h8,11H,4-7H2,1-3H3
InChIKeyWXACURTTXQQQCD-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.42
Rot. Bonds4

About methyl 4-(2-methoxyethyl)-4-methylpyrrolidine-3-carboxylate

methyl 4-(2-methoxyethyl)-4-methylpyrrolidine-3-carboxylate (PubChem CID 114486515) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl 4-(2-methoxyethyl)-4-methylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-methoxyethyl)-4-methylpyrrolidine-3-carboxylate
PubChem CID114486515
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl 4-(2-methoxyethyl)-4-methylpyrrolidine-3-carboxylate
SMILESCOCCC1(C)CNCC1C(=O)OC
InChIInChI=1S/C10H19NO3/c1-10(4-5-13-2)7-11-6-8(10)9(12)14-3/h8,11H,4-7H2,1-3H3
InChIKeyWXACURTTXQQQCD-UHFFFAOYSA-N
XLogP0.42
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-(2-methoxyethyl)-4-methylpyrrolidine-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,4R)-4-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxylate
CID 96885862
methyl 6-azaspiro[3.4]octane-8-carboxylate
CID 86811534
methyl (4S)-2-azaspiro[4.4]nonane-4-carboxylate
CID 129381539
methyl 3,3-dimethyl-2-oxa-7-azaspiro[4.4]nonane-9-carboxylate
CID 130997715
methyl 2-methoxy-6-azaspiro[3.4]octane-8-carboxylate
CID 106824169
methyl 8-oxa-2-azaspiro[4.5]decane-4-carboxylate
CID 104706034
4-methyl-4-(4,4,4-trifluorobutyl)pyrrolidine-3-carboxylic acid
CID 116536139
methyl 4-(2,4-dimethoxyphenyl)-4-methylpyrrolidine-3-carboxylate
CID 114486449
methyl 4-(3-fluorophenyl)-4-methylpyrrolidine-3-carboxylate
CID 114486517
trans-methyl (1S,2R)-2-ethyl-2-methylcyclopropane-1-carboxylate
CID 129452445
methyl (3S)-5-(2,2-dimethylpropyl)-3-(2-methoxyethyl)piperidine-3-carboxylate;molecular hydrogen
CID 178133379
4-(cyclopropylmethyl)-4-methylpyrrolidine-3-carboxamide
CID 114486950

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-methoxyethyl)-4-methylpyrrolidine-3-carboxylate?
The IUPAC name of methyl 4-(2-methoxyethyl)-4-methylpyrrolidine-3-carboxylate (CID 114486515) is methyl 4-(2-methoxyethyl)-4-methylpyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 4-(2-methoxyethyl)-4-methylpyrrolidine-3-carboxylate?
The canonical SMILES for methyl 4-(2-methoxyethyl)-4-methylpyrrolidine-3-carboxylate is COCCC1(C)CNCC1C(=O)OC.
What is the InChIKey of methyl 4-(2-methoxyethyl)-4-methylpyrrolidine-3-carboxylate?
The InChIKey is WXACURTTXQQQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-10(4-5-13-2)7-11-6-8(10)9(12)14-3/h8,11H,4-7H2,1-3H3.
What are the key properties of methyl 4-(2-methoxyethyl)-4-methylpyrrolidine-3-carboxylate?
methyl 4-(2-methoxyethyl)-4-methylpyrrolidine-3-carboxylate has a molecular weight of 201.27 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-methoxyethyl)-4-methylpyrrolidine-3-carboxylate is sourced from PubChem (CID 114486515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).