tert-butyl N-[(3R,4S)-4-pyrrolidin-1-yloxan-3-yl]carbamate

C14H26N2O3 — CID 67358967

IUPACtert-butyl N-[(3R,4S)-4-pyrrolidin-1-yloxan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1COCC[C@@H]1N1CCCC1
InChIInChI=1S/C14H26N2O3/c1-14(2,3)19-13(17)15-11-10-18-9-6-12(11)16-7-4-5-8-16/h11-12H,4-10H2,1-3H3,(H,15,17)/t11-,12-/m0/s1
InChIKeyGALBJBYEBGIOFJ-RYUDHWBXSA-N
MW270.37 g/mol
LogP1.76
Rot. Bonds2

About tert-butyl N-[(3R,4S)-4-pyrrolidin-1-yloxan-3-yl]carbamate

tert-butyl N-[(3R,4S)-4-pyrrolidin-1-yloxan-3-yl]carbamate (PubChem CID 67358967) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl N-[(3R,4S)-4-pyrrolidin-1-yloxan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R,4S)-4-pyrrolidin-1-yloxan-3-yl]carbamate
PubChem CID67358967
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nametert-butyl N-[(3R,4S)-4-pyrrolidin-1-yloxan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1COCC[C@@H]1N1CCCC1
InChIInChI=1S/C14H26N2O3/c1-14(2,3)19-13(17)15-11-10-18-9-6-12(11)16-7-4-5-8-16/h11-12H,4-10H2,1-3H3,(H,15,17)/t11-,12-/m0/s1
InChIKeyGALBJBYEBGIOFJ-RYUDHWBXSA-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

tert-butyl N-[(3S)-4-(4-oxopiperidin-1-yl)oxan-3-yl]carbamate
CID 90290949
tert-butyl N-[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]carbamate
CID 11514113
tert-butyl N-[(3R,4R)-4-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]oxolan-3-yl]carbamate
CID 71145361
tert-butyl N-[(3S,4R)-4-formyloxan-3-yl]carbamate
CID 59094980
tert-butyl N-[(3R,4S)-4-(cyclopentylamino)oxan-3-yl]carbamate
CID 67358949
tert-butyl N-[(3R,4S)-4-cyanooxan-3-yl]carbamate
CID 171441505
tert-butyl N-(oxan-3-yl)carbamate
CID 63789746
tert-butyl N-[1-(oxan-4-yl)azetidin-3-yl]carbamate
CID 147187788
2,6-dimethyl-N-[(4S)-4-pyrrolidin-1-yloxan-3-yl]-4-(trifluoromethyl)benzamide
CID 162560705
tert-butyl N-(1-cyclopropylazocan-5-yl)carbamate
CID 166867024
tert-butyl N-[(3S,4S)-4-morpholin-4-yl-1,1-dioxothiolan-3-yl]carbamate
CID 97071959
tert-butyl N-[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]carbamate
CID 164603518

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R,4S)-4-pyrrolidin-1-yloxan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R,4S)-4-pyrrolidin-1-yloxan-3-yl]carbamate (CID 67358967) is tert-butyl N-[(3R,4S)-4-pyrrolidin-1-yloxan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R,4S)-4-pyrrolidin-1-yloxan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R,4S)-4-pyrrolidin-1-yloxan-3-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1COCC[C@@H]1N1CCCC1.
What is the InChIKey of tert-butyl N-[(3R,4S)-4-pyrrolidin-1-yloxan-3-yl]carbamate?
The InChIKey is GALBJBYEBGIOFJ-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-14(2,3)19-13(17)15-11-10-18-9-6-12(11)16-7-4-5-8-16/h11-12H,4-10H2,1-3H3,(H,15,17)/t11-,12-/m0/s1.
What are the key properties of tert-butyl N-[(3R,4S)-4-pyrrolidin-1-yloxan-3-yl]carbamate?
tert-butyl N-[(3R,4S)-4-pyrrolidin-1-yloxan-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 tert-butyl N-[(3R,4S)-4-pyrrolidin-1-yloxan-3-yl]carbamate is sourced from PubChem (CID 67358967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).