methyl (5R)-2-methoxy-5-(5-oxohexyl)pyrrolidine-1-carboxylate

C13H23NO4 — CID 11107987

IUPACmethyl (5R)-2-methoxy-5-(5-oxohexyl)pyrrolidine-1-carboxylate
SMILESCOC(=O)N1C(OC)CC[C@H]1CCCCC(C)=O
InChIInChI=1S/C13H23NO4/c1-10(15)6-4-5-7-11-8-9-12(17-2)14(11)13(16)18-3/h11-12H,4-9H2,1-3H3/t11-,12?/m1/s1
InChIKeyUFSPVNUQTVHXDF-JHJMLUEUSA-N
MW257.33 g/mol
LogP2.34
Rot. Bonds6

About methyl (5R)-2-methoxy-5-(5-oxohexyl)pyrrolidine-1-carboxylate

methyl (5R)-2-methoxy-5-(5-oxohexyl)pyrrolidine-1-carboxylate (PubChem CID 11107987) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is methyl (5R)-2-methoxy-5-(5-oxohexyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (5R)-2-methoxy-5-(5-oxohexyl)pyrrolidine-1-carboxylate
PubChem CID11107987
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Namemethyl (5R)-2-methoxy-5-(5-oxohexyl)pyrrolidine-1-carboxylate
SMILESCOC(=O)N1C(OC)CC[C@H]1CCCCC(C)=O
InChIInChI=1S/C13H23NO4/c1-10(15)6-4-5-7-11-8-9-12(17-2)14(11)13(16)18-3/h11-12H,4-9H2,1-3H3/t11-,12?/m1/s1
InChIKeyUFSPVNUQTVHXDF-JHJMLUEUSA-N
XLogP2.34
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl (5R)-2-methoxy-5-(5-oxohexyl)pyrrolidine-1-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

tert-Butyl 2-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 10801136
tert-butyl (2S)-2-(3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 15102601
Tert-butyl 2-(3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 58574582
tert-Butyl (2R,4R)-2-(3-ethoxy-3-oxopropyl)-4-fluoropyrrolidine-1-carboxylate
CID 117927758
tert-butyl (2R,4S)-2-(3-ethoxy-3-oxopropyl)-4-fluoropyrrolidine-1-carboxylate
CID 172140305
Methyl 2-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 11344937
Methyl 2-[3-(2-methylpropoxy)-3-oxopropyl]pyrrolidine-1-carboxylate
CID 102021666
Methyl 9-oxo-9-(pyrrolidin-1-yl)nonanoate
CID 135391102
tert-butyl (2S)-2-(3-butoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 138971515
Tert-butyl 2-(3-ethoxy-3-oxopropyl)-4-fluoropyrrolidine-1-carboxylate
CID 155892829
alpha-Pyrrolidone, 5-[5,5-dimethoxy-1-hexyl]-N-methyl-
CID 566617
Pyrrol-2-one-5-propionic acid, N-methyl, methyl ester
CID 566781

Frequently Asked Questions

What is the IUPAC name of methyl (5R)-2-methoxy-5-(5-oxohexyl)pyrrolidine-1-carboxylate?
The IUPAC name of methyl (5R)-2-methoxy-5-(5-oxohexyl)pyrrolidine-1-carboxylate (CID 11107987) is methyl (5R)-2-methoxy-5-(5-oxohexyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for methyl (5R)-2-methoxy-5-(5-oxohexyl)pyrrolidine-1-carboxylate?
The canonical SMILES for methyl (5R)-2-methoxy-5-(5-oxohexyl)pyrrolidine-1-carboxylate is COC(=O)N1C(OC)CC[C@H]1CCCCC(C)=O.
What is the InChIKey of methyl (5R)-2-methoxy-5-(5-oxohexyl)pyrrolidine-1-carboxylate?
The InChIKey is UFSPVNUQTVHXDF-JHJMLUEUSA-N. The full InChI is InChI=1S/C13H23NO4/c1-10(15)6-4-5-7-11-8-9-12(17-2)14(11)13(16)18-3/h11-12H,4-9H2,1-3H3/t11-,12?/m1/s1.
What are the key properties of methyl (5R)-2-methoxy-5-(5-oxohexyl)pyrrolidine-1-carboxylate?
methyl (5R)-2-methoxy-5-(5-oxohexyl)pyrrolidine-1-carboxylate has a molecular weight of 257.33 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5R)-2-methoxy-5-(5-oxohexyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 11107987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).