tert-butyl 2-[2-[(2-methyloxan-4-yl)amino]propyl]pyrrolidine-1-carboxylate

C18H34N2O3 — CID 104871958

IUPACtert-butyl 2-[2-[(2-methyloxan-4-yl)amino]propyl]pyrrolidine-1-carboxylate
SMILESCC(CC1CCCN1C(=O)OC(C)(C)C)NC1CCOC(C)C1
InChIInChI=1S/C18H34N2O3/c1-13(19-15-8-10-22-14(2)12-15)11-16-7-6-9-20(16)17(21)23-18(3,4)5/h13-16,19H,6-12H2,1-5H3
InChIKeyZNLDUYOFGMHGQZ-UHFFFAOYSA-N
MW326.48 g/mol
LogP3.32
Rot. Bonds4

About tert-butyl 2-[2-[(2-methyloxan-4-yl)amino]propyl]pyrrolidine-1-carboxylate

tert-butyl 2-[2-[(2-methyloxan-4-yl)amino]propyl]pyrrolidine-1-carboxylate (PubChem CID 104871958) has the molecular formula C18H34N2O3 and a molecular weight of 326.48 g/mol. Its IUPAC name is tert-butyl 2-[2-[(2-methyloxan-4-yl)amino]propyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[2-[(2-methyloxan-4-yl)amino]propyl]pyrrolidine-1-carboxylate
PubChem CID104871958
Molecular FormulaC18H34N2O3
Molecular Weight326.48 g/mol
Exact Mass326.26
IUPAC Nametert-butyl 2-[2-[(2-methyloxan-4-yl)amino]propyl]pyrrolidine-1-carboxylate
SMILESCC(CC1CCCN1C(=O)OC(C)(C)C)NC1CCOC(C)C1
InChIInChI=1S/C18H34N2O3/c1-13(19-15-8-10-22-14(2)12-15)11-16-7-6-9-20(16)17(21)23-18(3,4)5/h13-16,19H,6-12H2,1-5H3
InChIKeyZNLDUYOFGMHGQZ-UHFFFAOYSA-N
XLogP3.32
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[2-[(1-methylpiperidin-3-yl)amino]propyl]pyrrolidine-1-carboxylate
CID 103723649
tert-butyl (2R)-2-[(2R)-2-cyclopropyl-2-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]ethyl]pyrrolidine-1-carboxylate
CID 124841780
tert-butyl (2R)-2-[(2S)-2-hydroxypropyl]pyrrolidine-1-carboxylate
CID 72724635
tert-butyl 2-[2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propyl]pyrrolidine-1-carboxylate
CID 103772224
tert-butyl 3-[2-[(3-methylcyclopentyl)amino]propyl]morpholine-4-carboxylate
CID 104937556
tert-butyl 2-[2-(thiolan-3-ylamino)propyl]piperidine-1-carboxylate
CID 103062610
tert-butyl 2-[2-(cyclohex-3-en-1-ylamino)propyl]piperidine-1-carboxylate
CID 103724014
tert-butyl 2-[2-(hydroxyamino)propyl]piperidine-1-carboxylate
CID 82687309
tert-butyl 2-[2-[(2,2-dimethylcyclopentyl)amino]propyl]pyrrolidine-1-carboxylate
CID 103738424
tert-butyl 2-[2-(2-hydroxypropylamino)propyl]pyrrolidine-1-carboxylate
CID 79540136
tert-butyl 2-[2-[(5-oxopyrrolidin-3-yl)amino]propyl]piperidine-1-carboxylate
CID 106182504
tert-butyl 2-[2-[(3-hydroxycyclopentyl)methylamino]propyl]pyrrolidine-1-carboxylate
CID 103275825

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[(2-methyloxan-4-yl)amino]propyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[2-[(2-methyloxan-4-yl)amino]propyl]pyrrolidine-1-carboxylate (CID 104871958) is tert-butyl 2-[2-[(2-methyloxan-4-yl)amino]propyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[2-[(2-methyloxan-4-yl)amino]propyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[2-[(2-methyloxan-4-yl)amino]propyl]pyrrolidine-1-carboxylate is CC(CC1CCCN1C(=O)OC(C)(C)C)NC1CCOC(C)C1.
What is the InChIKey of tert-butyl 2-[2-[(2-methyloxan-4-yl)amino]propyl]pyrrolidine-1-carboxylate?
The InChIKey is ZNLDUYOFGMHGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O3/c1-13(19-15-8-10-22-14(2)12-15)11-16-7-6-9-20(16)17(21)23-18(3,4)5/h13-16,19H,6-12H2,1-5H3.
What are the key properties of tert-butyl 2-[2-[(2-methyloxan-4-yl)amino]propyl]pyrrolidine-1-carboxylate?
tert-butyl 2-[2-[(2-methyloxan-4-yl)amino]propyl]pyrrolidine-1-carboxylate has a molecular weight of 326.48 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-[(2-methyloxan-4-yl)amino]propyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 104871958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).