tert-butyl 3-(1-amino-3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate

C14H26N2O4 — CID 24730216

IUPACtert-butyl 3-(1-amino-3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate
SMILESCCOC(=O)CC(N)C1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H26N2O4/c1-5-19-12(17)8-11(15)10-6-7-16(9-10)13(18)20-14(2,3)4/h10-11H,5-9,15H2,1-4H3
InChIKeyGGMFEDHKWJGYGA-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.52
Rot. Bonds4

About tert-butyl 3-(1-amino-3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate

tert-butyl 3-(1-amino-3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate (PubChem CID 24730216) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is tert-butyl 3-(1-amino-3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(1-amino-3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate
PubChem CID24730216
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Nametert-butyl 3-(1-amino-3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate
SMILESCCOC(=O)CC(N)C1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H26N2O4/c1-5-19-12(17)8-11(15)10-6-7-16(9-10)13(18)20-14(2,3)4/h10-11H,5-9,15H2,1-4H3
InChIKeyGGMFEDHKWJGYGA-UHFFFAOYSA-N
XLogP1.52
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-(1-amino-3-ethoxy-3-oxopropyl)piperidine-1-carboxylate;hydrochloride
CID 46738164
tert-butyl 3-(1-amino-2-ethoxyethyl)pyrrolidine-1-carboxylate
CID 107092558
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 4-(1,3-dihydroxypropyl)piperidine-1-carboxylate;tert-butyl 4-(3-ethoxy-1-hydroxy-3-oxopropyl)piperidine-1-carboxylate
CID 159306829
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-2,2,2-trifluoroethyl)pyrrolidine-1-carboxylate
CID 82379516
tert-butyl 3-(1-amino-2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 24730213

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1-amino-3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(1-amino-3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate (CID 24730216) is tert-butyl 3-(1-amino-3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(1-amino-3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(1-amino-3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate is CCOC(=O)CC(N)C1CCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-(1-amino-3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate?
The InChIKey is GGMFEDHKWJGYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-5-19-12(17)8-11(15)10-6-7-16(9-10)13(18)20-14(2,3)4/h10-11H,5-9,15H2,1-4H3.
What are the key properties of tert-butyl 3-(1-amino-3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate?
tert-butyl 3-(1-amino-3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate has a molecular weight of 286.37 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1-amino-3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 24730216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).