butyl 4-hydroxy-2-(methoxymethyl)pyrrolidine-1-carboxylate

C11H21NO4 — CID 67033606

IUPACbutyl 4-hydroxy-2-(methoxymethyl)pyrrolidine-1-carboxylate
SMILESCCCCOC(=O)N1CC(O)CC1COC
InChIInChI=1S/C11H21NO4/c1-3-4-5-16-11(14)12-7-10(13)6-9(12)8-15-2/h9-10,13H,3-8H2,1-2H3
InChIKeyHDVYLSCBBYNCIY-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.00
Rot. Bonds5

About butyl 4-hydroxy-2-(methoxymethyl)pyrrolidine-1-carboxylate

butyl 4-hydroxy-2-(methoxymethyl)pyrrolidine-1-carboxylate (PubChem CID 67033606) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is butyl 4-hydroxy-2-(methoxymethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebutyl 4-hydroxy-2-(methoxymethyl)pyrrolidine-1-carboxylate
PubChem CID67033606
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Namebutyl 4-hydroxy-2-(methoxymethyl)pyrrolidine-1-carboxylate
SMILESCCCCOC(=O)N1CC(O)CC1COC
InChIInChI=1S/C11H21NO4/c1-3-4-5-16-11(14)12-7-10(13)6-9(12)8-15-2/h9-10,13H,3-8H2,1-2H3
InChIKeyHDVYLSCBBYNCIY-UHFFFAOYSA-N
XLogP1.00
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl 4-hydroxy-2-(methoxymethyl)pyrrolidine-1-carboxylate?
The IUPAC name of butyl 4-hydroxy-2-(methoxymethyl)pyrrolidine-1-carboxylate (CID 67033606) is butyl 4-hydroxy-2-(methoxymethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for butyl 4-hydroxy-2-(methoxymethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for butyl 4-hydroxy-2-(methoxymethyl)pyrrolidine-1-carboxylate is CCCCOC(=O)N1CC(O)CC1COC.
What is the InChIKey of butyl 4-hydroxy-2-(methoxymethyl)pyrrolidine-1-carboxylate?
The InChIKey is HDVYLSCBBYNCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-3-4-5-16-11(14)12-7-10(13)6-9(12)8-15-2/h9-10,13H,3-8H2,1-2H3.
What are the key properties of butyl 4-hydroxy-2-(methoxymethyl)pyrrolidine-1-carboxylate?
butyl 4-hydroxy-2-(methoxymethyl)pyrrolidine-1-carboxylate has a molecular weight of 231.29 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-hydroxy-2-(methoxymethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 67033606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).