tert-butyl N-[(3S,4S)-4-methoxypyrrolidin-3-yl]carbamate

C10H20N2O3 — CID 10889311

IUPACtert-butyl N-[(3S,4S)-4-methoxypyrrolidin-3-yl]carbamate
SMILESCO[C@H]1CNC[C@@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C10H20N2O3/c1-10(2,3)15-9(13)12-7-5-11-6-8(7)14-4/h7-8,11H,5-6H2,1-4H3,(H,12,13)/t7-,8-/m0/s1
InChIKeyPIGDOXPNNMFBNA-YUMQZZPRSA-N
MW216.28 g/mol
LogP0.50
Rot. Bonds2

About tert-butyl N-[(3S,4S)-4-methoxypyrrolidin-3-yl]carbamate

tert-butyl N-[(3S,4S)-4-methoxypyrrolidin-3-yl]carbamate (PubChem CID 10889311) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is tert-butyl N-[(3S,4S)-4-methoxypyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S,4S)-4-methoxypyrrolidin-3-yl]carbamate
PubChem CID10889311
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Nametert-butyl N-[(3S,4S)-4-methoxypyrrolidin-3-yl]carbamate
SMILESCO[C@H]1CNC[C@@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C10H20N2O3/c1-10(2,3)15-9(13)12-7-5-11-6-8(7)14-4/h7-8,11H,5-6H2,1-4H3,(H,12,13)/t7-,8-/m0/s1
InChIKeyPIGDOXPNNMFBNA-YUMQZZPRSA-N
XLogP0.50
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-(-)-3-(tert-Butoxycarbonylamino)pyrrolidine
CID 1514396
(3R)-(+)-3-(tert-Butoxycarbonylamino)pyrrolidine
CID 1514397
tert-butyl N-(pyrrolidin-3-yl)carbamate
CID 2757234
rac-tert-butyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate
CID 76850218
tert-butyl ((3R,4S)-4-aminotetrahydrofuran-3-yl)carbamate
CID 90436776
(3R,4R)-3-Amino-1-Boc-4-hydroxypyrrolidine
CID 11275699
rel-1,1-Dimethylethyl (3R,4R)-3-hydroxy-4-(methylamino)-1-pyrrolidinecarboxylate
CID 28819679
rac-tert-butyl N-[(3R,4S)-4-methylpyrrolidin-3-yl]carbamate
CID 53686699
tert-butyl N-[[(3S,4S)-4-ethoxypyrrolidin-3-yl]methyl]carbamate
CID 122163615
1,1-Dimethylethyl (3S,4R)-3-amino-4-hydroxy-1-pyrrolidinecarboxylate
CID 10798157
rac-tert-butyl (3R,4S)-3-amino-4-methoxypyrrolidine-1-carboxylate
CID 11820622
rac-tert-butyl N-[(3R,4S)-4-methoxypyrrolidin-3-yl]carbamate
CID 15069970

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S,4S)-4-methoxypyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S,4S)-4-methoxypyrrolidin-3-yl]carbamate (CID 10889311) is tert-butyl N-[(3S,4S)-4-methoxypyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S,4S)-4-methoxypyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S,4S)-4-methoxypyrrolidin-3-yl]carbamate is CO[C@H]1CNC[C@@H]1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(3S,4S)-4-methoxypyrrolidin-3-yl]carbamate?
The InChIKey is PIGDOXPNNMFBNA-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-10(2,3)15-9(13)12-7-5-11-6-8(7)14-4/h7-8,11H,5-6H2,1-4H3,(H,12,13)/t7-,8-/m0/s1.
What are the key properties of tert-butyl N-[(3S,4S)-4-methoxypyrrolidin-3-yl]carbamate?
tert-butyl N-[(3S,4S)-4-methoxypyrrolidin-3-yl]carbamate has a molecular weight of 216.28 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S,4S)-4-methoxypyrrolidin-3-yl]carbamate is sourced from PubChem (CID 10889311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).