tert-butyl 3-(methoxymethyl)pyrrolidine-1-carboxylate;ethane;formic acid

C14H29NO5 — CID 144976953

IUPACtert-butyl 3-(methoxymethyl)pyrrolidine-1-carboxylate;ethane;formic acid
SMILESCC.COCC1CCN(C(=O)OC(C)(C)C)C1.O=CO
InChIInChI=1S/C11H21NO3.C2H6.CH2O2/c1-11(2,3)15-10(13)12-6-5-9(7-12)8-14-4;1-2;2-1-3/h9H,5-8H2,1-4H3;1-2H3;1H,(H,2,3)
InChIKeyHXEJDUQDCAUPCZ-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.62
Rot. Bonds2

About tert-butyl 3-(methoxymethyl)pyrrolidine-1-carboxylate;ethane;formic acid

tert-butyl 3-(methoxymethyl)pyrrolidine-1-carboxylate;ethane;formic acid (PubChem CID 144976953) has the molecular formula C14H29NO5 and a molecular weight of 291.39 g/mol. Its IUPAC name is tert-butyl 3-(methoxymethyl)pyrrolidine-1-carboxylate;ethane;formic acid.

Molecular Properties

Compound Nametert-butyl 3-(methoxymethyl)pyrrolidine-1-carboxylate;ethane;formic acid
PubChem CID144976953
Molecular FormulaC14H29NO5
Molecular Weight291.39 g/mol
Exact Mass291.20
IUPAC Nametert-butyl 3-(methoxymethyl)pyrrolidine-1-carboxylate;ethane;formic acid
SMILESCC.COCC1CCN(C(=O)OC(C)(C)C)C1.O=CO
InChIInChI=1S/C11H21NO3.C2H6.CH2O2/c1-11(2,3)15-10(13)12-6-5-9(7-12)8-14-4;1-2;2-1-3/h9H,5-8H2,1-4H3;1-2H3;1H,(H,2,3)
InChIKeyHXEJDUQDCAUPCZ-UHFFFAOYSA-N
XLogP2.62
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl 3-(methoxymethyl)pyrrolidine-1-carboxylate;ethane;formic acid 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 (3S)-3-(methoxymethyl)pyrrolidine-1-carboxylate
CID 86332594
tert-butyl 3-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 22184663
tert-butyl (3R)-3-(2-oxopropyl)pyrrolidine-1-carboxylate
CID 130861472
tert-butyl 3-methylpyrrolidine-1-carboxylate;formic acid
CID 143706686
tert-butyl (3S)-3-(2,2-dimethylpropyl)pyrrolidine-1-carboxylate
CID 164775419
2-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]acetate
CID 35549272
tert-butyl (3R)-3-(2-amino-2-oxoethyl)pyrrolidine-1-carboxylate
CID 152550195
tert-butyl 3-(cyclopropylmethyl)pyrrolidine-1-carboxylate
CID 167732516
tert-butyl 3-(2-hydroxyethoxymethyl)pyrrolidine-1-carboxylate
CID 66563815
tert-butyl (3R)-3-(difluoromethoxymethyl)pyrrolidine-1-carboxylate
CID 122487536
tert-butyl 3-prop-2-enylpyrrolidine-1-carboxylate
CID 129095066
tert-butyl 3-(2-chloroethyl)pyrrolidine-1-carboxylate
CID 71630011

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(methoxymethyl)pyrrolidine-1-carboxylate;ethane;formic acid?
The IUPAC name of tert-butyl 3-(methoxymethyl)pyrrolidine-1-carboxylate;ethane;formic acid (CID 144976953) is tert-butyl 3-(methoxymethyl)pyrrolidine-1-carboxylate;ethane;formic acid.
What is the SMILES notation for tert-butyl 3-(methoxymethyl)pyrrolidine-1-carboxylate;ethane;formic acid?
The canonical SMILES for tert-butyl 3-(methoxymethyl)pyrrolidine-1-carboxylate;ethane;formic acid is CC.COCC1CCN(C(=O)OC(C)(C)C)C1.O=CO.
What is the InChIKey of tert-butyl 3-(methoxymethyl)pyrrolidine-1-carboxylate;ethane;formic acid?
The InChIKey is HXEJDUQDCAUPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3.C2H6.CH2O2/c1-11(2,3)15-10(13)12-6-5-9(7-12)8-14-4;1-2;2-1-3/h9H,5-8H2,1-4H3;1-2H3;1H,(H,2,3).
What are the key properties of tert-butyl 3-(methoxymethyl)pyrrolidine-1-carboxylate;ethane;formic acid?
tert-butyl 3-(methoxymethyl)pyrrolidine-1-carboxylate;ethane;formic acid has a molecular weight of 291.39 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(methoxymethyl)pyrrolidine-1-carboxylate;ethane;formic acid is sourced from PubChem (CID 144976953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).