tert-butyl 3-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]pyrrolidine-1-carboxylate

C18H34N2O3 — CID 107239395

IUPACtert-butyl 3-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]pyrrolidine-1-carboxylate
SMILESCCOC1CC(NC2CCN(C(=O)OC(C)(C)C)C2)C1(C)CC
InChIInChI=1S/C18H34N2O3/c1-7-18(6)14(11-15(18)22-8-2)19-13-9-10-20(12-13)16(21)23-17(3,4)5/h13-15,19H,7-12H2,1-6H3
InChIKeyABGWYLXIDHPIHM-UHFFFAOYSA-N
MW326.48 g/mol
LogP3.18
Rot. Bonds5

About tert-butyl 3-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]pyrrolidine-1-carboxylate

tert-butyl 3-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]pyrrolidine-1-carboxylate (PubChem CID 107239395) has the molecular formula C18H34N2O3 and a molecular weight of 326.48 g/mol. Its IUPAC name is tert-butyl 3-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]pyrrolidine-1-carboxylate
PubChem CID107239395
Molecular FormulaC18H34N2O3
Molecular Weight326.48 g/mol
Exact Mass326.26
IUPAC Nametert-butyl 3-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]pyrrolidine-1-carboxylate
SMILESCCOC1CC(NC2CCN(C(=O)OC(C)(C)C)C2)C1(C)CC
InChIInChI=1S/C18H34N2O3/c1-7-18(6)14(11-15(18)22-8-2)19-13-9-10-20(12-13)16(21)23-17(3,4)5/h13-15,19H,7-12H2,1-6H3
InChIKeyABGWYLXIDHPIHM-UHFFFAOYSA-N
XLogP3.18
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]piperidin-1-yl]acetamide
CID 65168063
tert-butyl 3-[(2-ethyl-2-methyloxan-4-yl)amino]pyrrolidine-1-carboxylate
CID 107239343
tert-butyl 3-[(3-ethoxycyclobutyl)amino]piperidine-1-carboxylate
CID 103917519
tert-butyl 3-[(1-ethylpiperidin-4-yl)amino]pyrrolidine-1-carboxylate
CID 81338126
tert-butyl 3-[(3-methylcyclobutyl)amino]pyrrolidine-1-carboxylate
CID 115735709
N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-1-propan-2-ylpiperidin-4-amine
CID 65167851
tert-butyl 3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]azetidine-1-carboxylate
CID 102672477
tert-butyl 3-[(2-ethylcyclopentyl)amino]pyrrolidine-1-carboxylate
CID 103783533
tert-butyl (4S)-3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-4-methoxypyrrolidine-1-carboxylate
CID 113352246
tert-butyl (3S)-3-(thian-4-ylamino)pyrrolidine-1-carboxylate
CID 86609366
tert-butyl 3-[(2-methylcyclopropyl)amino]piperidine-1-carboxylate
CID 62397126
N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-1,3-dimethylpiperidin-4-amine
CID 114503243

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]pyrrolidine-1-carboxylate (CID 107239395) is tert-butyl 3-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]pyrrolidine-1-carboxylate is CCOC1CC(NC2CCN(C(=O)OC(C)(C)C)C2)C1(C)CC.
What is the InChIKey of tert-butyl 3-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]pyrrolidine-1-carboxylate?
The InChIKey is ABGWYLXIDHPIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O3/c1-7-18(6)14(11-15(18)22-8-2)19-13-9-10-20(12-13)16(21)23-17(3,4)5/h13-15,19H,7-12H2,1-6H3.
What are the key properties of tert-butyl 3-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]pyrrolidine-1-carboxylate?
tert-butyl 3-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]pyrrolidine-1-carboxylate has a molecular weight of 326.48 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]pyrrolidine-1-carboxylate is sourced from PubChem (CID 107239395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).