tert-butyl N-[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]carbamate

C15H26N2O4 — CID 53256054

IUPACtert-butyl N-[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCN(C(=O)C2CCOCC2)C1
InChIInChI=1S/C15H26N2O4/c1-15(2,3)21-14(19)16-12-4-7-17(10-12)13(18)11-5-8-20-9-6-11/h11-12H,4-10H2,1-3H3,(H,16,19)/t12-/m0/s1
InChIKeyGFVVQCGSYSMWIG-LBPRGKRZSA-N
MW298.38 g/mol
LogP1.54
Rot. Bonds2

About tert-butyl N-[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]carbamate

tert-butyl N-[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]carbamate (PubChem CID 53256054) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is tert-butyl N-[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]carbamate
PubChem CID53256054
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Nametert-butyl N-[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCN(C(=O)C2CCOCC2)C1
InChIInChI=1S/C15H26N2O4/c1-15(2,3)21-14(19)16-12-4-7-17(10-12)13(18)11-5-8-20-9-6-11/h11-12H,4-10H2,1-3H3,(H,16,19)/t12-/m0/s1
InChIKeyGFVVQCGSYSMWIG-LBPRGKRZSA-N
XLogP1.54
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-ethyl-2-(oxane-4-carbonylamino)butyl]carbamate
CID 53591325
N-[1-(2,2-dimethylpropyl)-5-oxo-3-pyrrolidinyl]tetrahydro-2H-pyran-4-carboxamide
CID 45203587
tert-butyl N-[(2S)-2-(oxane-4-carbonylamino)propyl]carbamate
CID 18647046
tert-Butyl 4-[(tetrahydro-2H-pyran-4-carbonyl)amino]piperidine-1-carboxylate
CID 53255664
(S)-(3-Aminopyrrolidin-1-yl)(tetrahydro-2H-pyran-4-yl)methanone
CID 53256339
tert-butyl N-[(2R)-2-(oxane-4-carbonylamino)propyl]carbamate
CID 54173092
tert-butyl N-[(3S)-1-(oxan-4-ylmethyl)-2,5-dioxopyrrolidin-3-yl]carbamate
CID 59215934
1-(Oxane-4-carbonyl)pyrrolidin-3-amine
CID 62068425
(R)-tert-Butyl (1-(tetrahydro-2H-pyran-4-carbonyl)pyrrolidin-3-yl)carbamate
CID 66653507
N-[(3R)-1-tert-butylpyrrolidin-3-yl]oxane-4-carboxamide
CID 90438036
N-[(3R)-1-methylpyrrolidin-3-yl]oxane-4-carboxamide
CID 90442600
Tert-butyl 2-[2-(oxan-4-ylmethylamino)-2-oxoethyl]piperazine-1-carboxylate
CID 123734820

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]carbamate (CID 53256054) is tert-butyl N-[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)C2CCOCC2)C1.
What is the InChIKey of tert-butyl N-[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]carbamate?
The InChIKey is GFVVQCGSYSMWIG-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-15(2,3)21-14(19)16-12-4-7-17(10-12)13(18)11-5-8-20-9-6-11/h11-12H,4-10H2,1-3H3,(H,16,19)/t12-/m0/s1.
What are the key properties of tert-butyl N-[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]carbamate?
tert-butyl N-[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]carbamate has a molecular weight of 298.38 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 53256054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).