methyl 1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-2-carboxylate

C14H23NO4 — CID 65160003

IUPACmethyl 1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)C1C(C)OC(C)C1C
InChIInChI=1S/C14H23NO4/c1-8-9(2)19-10(3)12(8)13(16)15-7-5-6-11(15)14(17)18-4/h8-12H,5-7H2,1-4H3
InChIKeyWAEAXAWQEXBCTH-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.21
Rot. Bonds2

About methyl 1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-2-carboxylate

methyl 1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 65160003) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is methyl 1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-2-carboxylate
PubChem CID65160003
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Namemethyl 1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)C1C(C)OC(C)C1C
InChIInChI=1S/C14H23NO4/c1-8-9(2)19-10(3)12(8)13(16)15-7-5-6-11(15)14(17)18-4/h8-12H,5-7H2,1-4H3
InChIKeyWAEAXAWQEXBCTH-UHFFFAOYSA-N
XLogP1.21
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-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

Related Compounds

methyl 1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-4-carboxylate
CID 65160002
methyl (2S)-1-(azetidine-3-carbonyl)pyrrolidine-2-carboxylate
CID 174918587
methyl 1-[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 43623815
methyl (2R)-1-(cyclopentanecarbonyl)piperidine-2-carboxylate
CID 79833170
methyl (2R)-1-(cyclopropanecarbonyl)piperidine-2-carboxylate
CID 79833593
1-[1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidin-2-yl]propan-2-one
CID 79541106
methyl 1-(4-hydroxycyclohexanecarbonyl)pyrrolidine-2-carboxylate
CID 112531508
4-methyl-1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-2-carboxylic acid
CID 114422001
1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-2-carbonitrile
CID 65156614
methyl 1-(4-methylpiperidine-2-carbonyl)piperidine-2-carboxylate
CID 114423341
(1R,2R,3S,4S,5S)-2,4-diformyl-5-[(2S)-2-methoxycarbonylpyrrolidine-1-carbonyl]-3-trimethylsilylcyclopentane-1-carboxylic acid
CID 10739581
methyl (2R)-1-(3-methyloxolane-2-carbonyl)piperidine-2-carboxylate
CID 81463255

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-2-carboxylate (CID 65160003) is methyl 1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)C1C(C)OC(C)C1C.
What is the InChIKey of methyl 1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is WAEAXAWQEXBCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-8-9(2)19-10(3)12(8)13(16)15-7-5-6-11(15)14(17)18-4/h8-12H,5-7H2,1-4H3.
What are the key properties of methyl 1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-2-carboxylate?
methyl 1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 269.34 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 65160003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).