tert-butyl 3-(1-aminopent-4-enyl)pyrrolidine-1-carboxylate

C14H26N2O2 — CID 107092458

IUPACtert-butyl 3-(1-aminopent-4-enyl)pyrrolidine-1-carboxylate
SMILESC=CCCC(N)C1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H26N2O2/c1-5-6-7-12(15)11-8-9-16(10-11)13(17)18-14(2,3)4/h5,11-12H,1,6-10,15H2,2-4H3
InChIKeyTZBRBRONNLMTRQ-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.54
Rot. Bonds4

About tert-butyl 3-(1-aminopent-4-enyl)pyrrolidine-1-carboxylate

tert-butyl 3-(1-aminopent-4-enyl)pyrrolidine-1-carboxylate (PubChem CID 107092458) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is tert-butyl 3-(1-aminopent-4-enyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(1-aminopent-4-enyl)pyrrolidine-1-carboxylate
PubChem CID107092458
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Nametert-butyl 3-(1-aminopent-4-enyl)pyrrolidine-1-carboxylate
SMILESC=CCCC(N)C1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H26N2O2/c1-5-6-7-12(15)11-8-9-16(10-11)13(17)18-14(2,3)4/h5,11-12H,1,6-10,15H2,2-4H3
InChIKeyTZBRBRONNLMTRQ-UHFFFAOYSA-N
XLogP2.54
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 3-(1-fluoropent-4-enyl)pyrrolidine-1-carboxylate
CID 146486000
tert-butyl 3-[1-(ethylamino)pent-4-enyl]pyrrolidine-1-carboxylate
CID 107092460
tert-butyl 3-(1-aminononyl)pyrrolidine-1-carboxylate
CID 107092283
tert-butyl 3-(1-aminohex-4-ynyl)pyrrolidine-1-carboxylate
CID 107092691
tert-butyl 3-(1-amino-3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 24730216
tert-butyl 3-(1-amino-2-ethoxyethyl)pyrrolidine-1-carboxylate
CID 107092558
tert-butyl (3S)-3-(1-hydroxybut-3-enyl)pyrrolidine-1-carboxylate
CID 59536652
tert-butyl 3-(1-amino-3-ethylpentyl)pyrrolidine-1-carboxylate
CID 107092651
tert-butyl 3-(1-amino-2,2,2-trifluoroethyl)pyrrolidine-1-carboxylate
CID 82379516
tert-butyl 3-[1-(methylamino)but-3-enyl]pyrrolidine-1-carboxylate
CID 107092236
(2S)-2-amino-2-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]acetic acid
CID 93087503
tert-butyl (3S)-3-pent-4-enoylpyrrolidine-1-carboxylate
CID 165468774

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1-aminopent-4-enyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(1-aminopent-4-enyl)pyrrolidine-1-carboxylate (CID 107092458) is tert-butyl 3-(1-aminopent-4-enyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(1-aminopent-4-enyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(1-aminopent-4-enyl)pyrrolidine-1-carboxylate is C=CCCC(N)C1CCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-(1-aminopent-4-enyl)pyrrolidine-1-carboxylate?
The InChIKey is TZBRBRONNLMTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-5-6-7-12(15)11-8-9-16(10-11)13(17)18-14(2,3)4/h5,11-12H,1,6-10,15H2,2-4H3.
What are the key properties of tert-butyl 3-(1-aminopent-4-enyl)pyrrolidine-1-carboxylate?
tert-butyl 3-(1-aminopent-4-enyl)pyrrolidine-1-carboxylate has a molecular weight of 254.37 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1-aminopent-4-enyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 107092458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).