tert-butyl (3R)-3-[2-(ethylamino)ethyl]pyrrolidine-1-carboxylate

C13H26N2O2 — CID 71635386

IUPACtert-butyl (3R)-3-[2-(ethylamino)ethyl]pyrrolidine-1-carboxylate
SMILESCCNCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H26N2O2/c1-5-14-8-6-11-7-9-15(10-11)12(16)17-13(2,3)4/h11,14H,5-10H2,1-4H3/t11-/m1/s1
InChIKeyYGFHVUBOUQQQQS-LLVKDONJSA-N
MW242.36 g/mol
LogP2.24
Rot. Bonds4

About tert-butyl (3R)-3-[2-(ethylamino)ethyl]pyrrolidine-1-carboxylate

tert-butyl (3R)-3-[2-(ethylamino)ethyl]pyrrolidine-1-carboxylate (PubChem CID 71635386) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is tert-butyl (3R)-3-[2-(ethylamino)ethyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[2-(ethylamino)ethyl]pyrrolidine-1-carboxylate
PubChem CID71635386
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nametert-butyl (3R)-3-[2-(ethylamino)ethyl]pyrrolidine-1-carboxylate
SMILESCCNCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H26N2O2/c1-5-14-8-6-11-7-9-15(10-11)12(16)17-13(2,3)4/h11,14H,5-10H2,1-4H3/t11-/m1/s1
InChIKeyYGFHVUBOUQQQQS-LLVKDONJSA-N
XLogP2.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-[2-(ethylamino)ethyl]piperidine-1-carboxylate
CID 71635409
tert-butyl 4-(ethylaminomethyl)piperidine-1-carboxylate
CID 53249196
tert-butyl 3-[2-(4-methylsulfanylbutylamino)ethyl]pyrrolidine-1-carboxylate
CID 107249127
tert-butyl 3-(2-hydroxyethyl)pyrrolidine-1-carboxylate
CID 22594650
tert-butyl 3-(2-chloroethyl)pyrrolidine-1-carboxylate
CID 71630011
tert-butyl 3-[2-(2-methylpentan-3-ylamino)ethyl]pyrrolidine-1-carboxylate
CID 103782504
tert-butyl 3-[2-(1-cyclopropylpropylamino)ethyl]pyrrolidine-1-carboxylate
CID 103782522
tert-butyl 3-[2-[(1-methylpyrrolidin-3-yl)amino]ethyl]pyrrolidine-1-carboxylate
CID 103748312
2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]ethylamino]propanoic acid
CID 107249114
tert-butyl 3-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 22184663
tert-butyl 3-[2-[(2-methylcyclopentyl)amino]ethyl]pyrrolidine-1-carboxylate
CID 103748309
tert-butyl 3-[2-[(3,4-dimethylcyclohexyl)amino]ethyl]pyrrolidine-1-carboxylate
CID 107249047

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[2-(ethylamino)ethyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[2-(ethylamino)ethyl]pyrrolidine-1-carboxylate (CID 71635386) is tert-butyl (3R)-3-[2-(ethylamino)ethyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[2-(ethylamino)ethyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[2-(ethylamino)ethyl]pyrrolidine-1-carboxylate is CCNCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (3R)-3-[2-(ethylamino)ethyl]pyrrolidine-1-carboxylate?
The InChIKey is YGFHVUBOUQQQQS-LLVKDONJSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-5-14-8-6-11-7-9-15(10-11)12(16)17-13(2,3)4/h11,14H,5-10H2,1-4H3/t11-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[2-(ethylamino)ethyl]pyrrolidine-1-carboxylate?
tert-butyl (3R)-3-[2-(ethylamino)ethyl]pyrrolidine-1-carboxylate has a molecular weight of 242.36 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[2-(ethylamino)ethyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 71635386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).