oxan-4-yl N-tert-butyl-N-[(3S)-pyrrolidin-3-yl]carbamate

C14H26N2O3 — CID 175154394

IUPACoxan-4-yl N-tert-butyl-N-[(3S)-pyrrolidin-3-yl]carbamate
SMILESCC(C)(C)N(C(=O)OC1CCOCC1)[C@H]1CCNC1
InChIInChI=1S/C14H26N2O3/c1-14(2,3)16(11-4-7-15-10-11)13(17)19-12-5-8-18-9-6-12/h11-12,15H,4-10H2,1-3H3/t11-/m0/s1
InChIKeyRFYHIOPHMPZZDA-NSHDSACASA-N
MW270.37 g/mol
LogP1.76
Rot. Bonds2

About oxan-4-yl N-tert-butyl-N-[(3S)-pyrrolidin-3-yl]carbamate

oxan-4-yl N-tert-butyl-N-[(3S)-pyrrolidin-3-yl]carbamate (PubChem CID 175154394) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is oxan-4-yl N-tert-butyl-N-[(3S)-pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nameoxan-4-yl N-tert-butyl-N-[(3S)-pyrrolidin-3-yl]carbamate
PubChem CID175154394
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nameoxan-4-yl N-tert-butyl-N-[(3S)-pyrrolidin-3-yl]carbamate
SMILESCC(C)(C)N(C(=O)OC1CCOCC1)[C@H]1CCNC1
InChIInChI=1S/C14H26N2O3/c1-14(2,3)16(11-4-7-15-10-11)13(17)19-12-5-8-18-9-6-12/h11-12,15H,4-10H2,1-3H3/t11-/m0/s1
InChIKeyRFYHIOPHMPZZDA-NSHDSACASA-N
XLogP1.76
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

oxan-4-yl N-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]carbamate
CID 146799591
methyl N-tert-butyl-N-(oxan-4-yl)carbamate
CID 23087104
ethyl N-tert-butyl-N-piperidin-4-ylcarbamate
CID 167313798
ethyl N-tert-butyl-N-[(3R)-piperidin-3-yl]carbamate
CID 140758794
tert-butyl N-(oxetan-3-yl)-N-pyrrolidin-3-ylcarbamate
CID 67191248
methyl-[(3S)-pyrrolidin-3-yl]carbamic acid
CID 66936290
[4-(4-fluorophenyl)-2-hydroxycyclopentyl] N-tert-butyl-N-piperidin-3-ylcarbamate
CID 175137543
(1-methyl-4-nitropyrazol-5-yl) N-tert-butyl-N-[(3S)-pyrrolidin-3-yl]carbamate
CID 175123004
N-methyl-N-(oxan-4-yl)pyrrolidin-3-amine
CID 62328267
pyrrolidin-3-yl N,N-dimethylcarbamate
CID 54025595
[(3S)-pyrrolidin-3-yl] oxane-4-carboxylate
CID 86319568
tert-butyl-(3-hydroxypiperidin-4-yl)carbamic acid
CID 67307566

Frequently Asked Questions

What is the IUPAC name of oxan-4-yl N-tert-butyl-N-[(3S)-pyrrolidin-3-yl]carbamate?
The IUPAC name of oxan-4-yl N-tert-butyl-N-[(3S)-pyrrolidin-3-yl]carbamate (CID 175154394) is oxan-4-yl N-tert-butyl-N-[(3S)-pyrrolidin-3-yl]carbamate.
What is the SMILES notation for oxan-4-yl N-tert-butyl-N-[(3S)-pyrrolidin-3-yl]carbamate?
The canonical SMILES for oxan-4-yl N-tert-butyl-N-[(3S)-pyrrolidin-3-yl]carbamate is CC(C)(C)N(C(=O)OC1CCOCC1)[C@H]1CCNC1.
What is the InChIKey of oxan-4-yl N-tert-butyl-N-[(3S)-pyrrolidin-3-yl]carbamate?
The InChIKey is RFYHIOPHMPZZDA-NSHDSACASA-N. The full InChI is InChI=1S/C14H26N2O3/c1-14(2,3)16(11-4-7-15-10-11)13(17)19-12-5-8-18-9-6-12/h11-12,15H,4-10H2,1-3H3/t11-/m0/s1.
What are the key properties of oxan-4-yl N-tert-butyl-N-[(3S)-pyrrolidin-3-yl]carbamate?
oxan-4-yl N-tert-butyl-N-[(3S)-pyrrolidin-3-yl]carbamate has a molecular weight of 270.37 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl N-tert-butyl-N-[(3S)-pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 175154394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).