tert-butyl 3-(1-amino-2-ethoxyethyl)pyrrolidine-1-carboxylate

C13H26N2O3 — CID 107092558

IUPACtert-butyl 3-(1-amino-2-ethoxyethyl)pyrrolidine-1-carboxylate
SMILESCCOCC(N)C1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H26N2O3/c1-5-17-9-11(14)10-6-7-15(8-10)12(16)18-13(2,3)4/h10-11H,5-9,14H2,1-4H3
InChIKeyWZBPBNZJYYAZLI-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.61
Rot. Bonds4

About tert-butyl 3-(1-amino-2-ethoxyethyl)pyrrolidine-1-carboxylate

tert-butyl 3-(1-amino-2-ethoxyethyl)pyrrolidine-1-carboxylate (PubChem CID 107092558) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is tert-butyl 3-(1-amino-2-ethoxyethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(1-amino-2-ethoxyethyl)pyrrolidine-1-carboxylate
PubChem CID107092558
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Nametert-butyl 3-(1-amino-2-ethoxyethyl)pyrrolidine-1-carboxylate
SMILESCCOCC(N)C1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H26N2O3/c1-5-17-9-11(14)10-6-7-15(8-10)12(16)18-13(2,3)4/h10-11H,5-9,14H2,1-4H3
InChIKeyWZBPBNZJYYAZLI-UHFFFAOYSA-N
XLogP1.61
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-(1-amino-3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 24730216
tert-butyl 3-(1-amino-3-ethylpentyl)pyrrolidine-1-carboxylate
CID 107092651
tert-butyl 3-(1-aminononyl)pyrrolidine-1-carboxylate
CID 107092283
tert-butyl 3-(1-aminopent-4-enyl)pyrrolidine-1-carboxylate
CID 107092458
tert-butyl 3-(1-aminohex-4-ynyl)pyrrolidine-1-carboxylate
CID 107092691
(2S)-2-amino-2-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]acetic acid
CID 93087503
tert-butyl (3S)-3-[(1R)-1-hydroxy-2-propan-2-yloxyethyl]pyrrolidine-1-carboxylate
CID 66859524
tert-butyl (3S)-3-propan-2-ylpyrrolidine-1-carboxylate
CID 139452592
tert-butyl 3-(1-aminopropan-2-yl)pyrrolidine-1-carboxylate
CID 82391180
tert-butyl 3-(1-amino-2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 24730213
tert-butyl 3-(1-amino-2,2,2-trifluoroethyl)pyrrolidine-1-carboxylate
CID 82379516
tert-butyl 3-(2-aminooxy-1-fluoroethyl)pyrrolidine-1-carboxylate
CID 115046306

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1-amino-2-ethoxyethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(1-amino-2-ethoxyethyl)pyrrolidine-1-carboxylate (CID 107092558) is tert-butyl 3-(1-amino-2-ethoxyethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(1-amino-2-ethoxyethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(1-amino-2-ethoxyethyl)pyrrolidine-1-carboxylate is CCOCC(N)C1CCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-(1-amino-2-ethoxyethyl)pyrrolidine-1-carboxylate?
The InChIKey is WZBPBNZJYYAZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-5-17-9-11(14)10-6-7-15(8-10)12(16)18-13(2,3)4/h10-11H,5-9,14H2,1-4H3.
What are the key properties of tert-butyl 3-(1-amino-2-ethoxyethyl)pyrrolidine-1-carboxylate?
tert-butyl 3-(1-amino-2-ethoxyethyl)pyrrolidine-1-carboxylate has a molecular weight of 258.36 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1-amino-2-ethoxyethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 107092558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).