tert-butyl 2-[[(2-methyloxolan-3-yl)amino]methyl]pyrrolidine-1-carboxylate

C15H28N2O3 — CID 103827870

IUPACtert-butyl 2-[[(2-methyloxolan-3-yl)amino]methyl]pyrrolidine-1-carboxylate
SMILESCC1OCCC1NCC1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O3/c1-11-13(7-9-19-11)16-10-12-6-5-8-17(12)14(18)20-15(2,3)4/h11-13,16H,5-10H2,1-4H3
InChIKeyDQZPNTCRFGZSCP-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.15
Rot. Bonds3

About tert-butyl 2-[[(2-methyloxolan-3-yl)amino]methyl]pyrrolidine-1-carboxylate

tert-butyl 2-[[(2-methyloxolan-3-yl)amino]methyl]pyrrolidine-1-carboxylate (PubChem CID 103827870) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is tert-butyl 2-[[(2-methyloxolan-3-yl)amino]methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[(2-methyloxolan-3-yl)amino]methyl]pyrrolidine-1-carboxylate
PubChem CID103827870
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nametert-butyl 2-[[(2-methyloxolan-3-yl)amino]methyl]pyrrolidine-1-carboxylate
SMILESCC1OCCC1NCC1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O3/c1-11-13(7-9-19-11)16-10-12-6-5-8-17(12)14(18)20-15(2,3)4/h11-13,16H,5-10H2,1-4H3
InChIKeyDQZPNTCRFGZSCP-UHFFFAOYSA-N
XLogP2.15
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[(cyclooctylamino)methyl]pyrrolidine-1-carboxylate
CID 106636324
tert-butyl 2-(methylaminomethyl)pyrrolidine-1-carboxylate;ethane
CID 166086054
tert-butyl 2-[(oxetan-3-ylamino)methyl]piperidine-1-carboxylate
CID 103874776
tert-butyl 2-[[(2,3-dimethyloxolan-3-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 103581186
tert-butyl 2-[[(3,5-dimethylcyclohexyl)amino]methyl]piperidine-1-carboxylate
CID 106634012
tert-butyl 2-[[(4-ethylcyclohexyl)amino]methyl]pyrrolidine-1-carboxylate
CID 106638143
tert-butyl 2-[[(1-methylpyrrolidin-3-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 103748317
tert-butyl 2-[[(1,1-dioxothian-4-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 106636999
tert-butyl (2R)-2-(methanesulfonamidomethyl)pyrrolidine-1-carboxylate
CID 134993115
tert-butyl (2R)-2-[(morpholin-4-ylsulfonylamino)methyl]pyrrolidine-1-carboxylate
CID 95274465
tert-butyl 2-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 103782669
tert-butyl (2S)-2-[[(2-chloroacetyl)amino]methyl]pyrrolidine-1-carboxylate
CID 59215816

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[(2-methyloxolan-3-yl)amino]methyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[[(2-methyloxolan-3-yl)amino]methyl]pyrrolidine-1-carboxylate (CID 103827870) is tert-butyl 2-[[(2-methyloxolan-3-yl)amino]methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[[(2-methyloxolan-3-yl)amino]methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[[(2-methyloxolan-3-yl)amino]methyl]pyrrolidine-1-carboxylate is CC1OCCC1NCC1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[[(2-methyloxolan-3-yl)amino]methyl]pyrrolidine-1-carboxylate?
The InChIKey is DQZPNTCRFGZSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-11-13(7-9-19-11)16-10-12-6-5-8-17(12)14(18)20-15(2,3)4/h11-13,16H,5-10H2,1-4H3.
What are the key properties of tert-butyl 2-[[(2-methyloxolan-3-yl)amino]methyl]pyrrolidine-1-carboxylate?
tert-butyl 2-[[(2-methyloxolan-3-yl)amino]methyl]pyrrolidine-1-carboxylate has a molecular weight of 284.40 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[(2-methyloxolan-3-yl)amino]methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 103827870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).