tert-butyl 3-(1-morpholin-3-ylpropan-2-ylamino)pyrrolidine-1-carboxylate

C16H31N3O3 — CID 107239334

IUPACtert-butyl 3-(1-morpholin-3-ylpropan-2-ylamino)pyrrolidine-1-carboxylate
SMILESCC(CC1COCCN1)NC1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H31N3O3/c1-12(9-14-11-21-8-6-17-14)18-13-5-7-19(10-13)15(20)22-16(2,3)4/h12-14,17-18H,5-11H2,1-4H3
InChIKeyQTROWYAJRALTNW-UHFFFAOYSA-N
MW313.44 g/mol
LogP1.35
Rot. Bonds4

About tert-butyl 3-(1-morpholin-3-ylpropan-2-ylamino)pyrrolidine-1-carboxylate

tert-butyl 3-(1-morpholin-3-ylpropan-2-ylamino)pyrrolidine-1-carboxylate (PubChem CID 107239334) has the molecular formula C16H31N3O3 and a molecular weight of 313.44 g/mol. Its IUPAC name is tert-butyl 3-(1-morpholin-3-ylpropan-2-ylamino)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(1-morpholin-3-ylpropan-2-ylamino)pyrrolidine-1-carboxylate
PubChem CID107239334
Molecular FormulaC16H31N3O3
Molecular Weight313.44 g/mol
Exact Mass313.24
IUPAC Nametert-butyl 3-(1-morpholin-3-ylpropan-2-ylamino)pyrrolidine-1-carboxylate
SMILESCC(CC1COCCN1)NC1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H31N3O3/c1-12(9-14-11-21-8-6-17-14)18-13-5-7-19(10-13)15(20)22-16(2,3)4/h12-14,17-18H,5-11H2,1-4H3
InChIKeyQTROWYAJRALTNW-UHFFFAOYSA-N
XLogP1.35
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-(1-piperidin-2-ylpropan-2-ylamino)piperidine-1-carboxylate
CID 107241518
tert-butyl 4-(1-pyrrolidin-2-ylpropan-2-ylamino)azepane-1-carboxylate
CID 107255060
tert-butyl 3-(1-aminopropan-2-ylamino)pyrrolidine-1-carboxylate
CID 107239410
tert-butyl N-[1-(1-morpholin-3-ylpropan-2-ylamino)propan-2-yl]carbamate
CID 107247432
tert-butyl 3-[1-(oxan-4-yl)ethylamino]pyrrolidine-1-carboxylate
CID 103783530
tert-butyl 3-[1-(dimethylamino)propan-2-ylamino]piperidine-1-carboxylate
CID 82944881
tert-butyl 3-[(1-methoxy-1-oxopropan-2-yl)amino]pyrrolidine-1-carboxylate
CID 79040519
tert-butyl 4-(4-hydroxybutan-2-ylamino)piperidine-1-carboxylate
CID 79692176
tert-butyl 6-(1-piperidin-2-ylpropan-2-ylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 107238586
tert-butyl (3S)-3-(2-methylpropyl)piperazine-1-carboxylate;hydrochloride
CID 45072245
tert-butyl 3-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyrrolidine-1-carboxylate
CID 80718559
tert-butyl 4-[1-(oxolan-3-yl)ethylamino]piperidine-1-carboxylate
CID 115677343

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1-morpholin-3-ylpropan-2-ylamino)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(1-morpholin-3-ylpropan-2-ylamino)pyrrolidine-1-carboxylate (CID 107239334) is tert-butyl 3-(1-morpholin-3-ylpropan-2-ylamino)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(1-morpholin-3-ylpropan-2-ylamino)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(1-morpholin-3-ylpropan-2-ylamino)pyrrolidine-1-carboxylate is CC(CC1COCCN1)NC1CCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-(1-morpholin-3-ylpropan-2-ylamino)pyrrolidine-1-carboxylate?
The InChIKey is QTROWYAJRALTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O3/c1-12(9-14-11-21-8-6-17-14)18-13-5-7-19(10-13)15(20)22-16(2,3)4/h12-14,17-18H,5-11H2,1-4H3.
What are the key properties of tert-butyl 3-(1-morpholin-3-ylpropan-2-ylamino)pyrrolidine-1-carboxylate?
tert-butyl 3-(1-morpholin-3-ylpropan-2-ylamino)pyrrolidine-1-carboxylate has a molecular weight of 313.44 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1-morpholin-3-ylpropan-2-ylamino)pyrrolidine-1-carboxylate is sourced from PubChem (CID 107239334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).