tert-butyl (3R,4R)-3-methoxy-4-(methylamino)pyrrolidine-1-carboxylate

C11H22N2O3 — CID 98008324

IUPACtert-butyl (3R,4R)-3-methoxy-4-(methylamino)pyrrolidine-1-carboxylate
SMILESCN[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1OC
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-6-8(12-4)9(7-13)15-5/h8-9,12H,6-7H2,1-5H3/t8-,9-/m1/s1
InChIKeyAAKFNMYHCBQIQV-RKDXNWHRSA-N
MW230.31 g/mol
LogP0.84
Rot. Bonds2

About tert-butyl (3R,4R)-3-methoxy-4-(methylamino)pyrrolidine-1-carboxylate

tert-butyl (3R,4R)-3-methoxy-4-(methylamino)pyrrolidine-1-carboxylate (PubChem CID 98008324) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is tert-butyl (3R,4R)-3-methoxy-4-(methylamino)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,4R)-3-methoxy-4-(methylamino)pyrrolidine-1-carboxylate
PubChem CID98008324
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nametert-butyl (3R,4R)-3-methoxy-4-(methylamino)pyrrolidine-1-carboxylate
SMILESCN[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1OC
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-6-8(12-4)9(7-13)15-5/h8-9,12H,6-7H2,1-5H3/t8-,9-/m1/s1
InChIKeyAAKFNMYHCBQIQV-RKDXNWHRSA-N
XLogP0.84
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-methoxy-4-(methylamino)piperidine-1-carboxylate
CID 130156406
tert-butyl (3S,4S)-3,4-dimethoxypyrrolidine-1-carboxylate
CID 57078219
tert-butyl (4S)-3-(cyclopentylamino)-4-methoxypyrrolidine-1-carboxylate
CID 103845392
tert-butyl (4S)-3-(1,1-difluoropropan-2-ylamino)-4-methoxypyrrolidine-1-carboxylate
CID 107244856
tert-butyl (4S)-3-(1-cyclopropylethylamino)-4-methoxypyrrolidine-1-carboxylate
CID 103904518
tert-butyl (4S)-3-[(4-aminocyclohexyl)amino]-4-methoxypyrrolidine-1-carboxylate
CID 107244847
tert-butyl (3R,4S)-3-(ethylcarbamoylamino)-4-methoxypyrrolidine-1-carboxylate
CID 167357023
tert-butyl (3S)-3-methoxy-4-(pentan-2-ylamino)pyrrolidine-1-carboxylate
CID 103904510
tert-butyl (3R,4S)-3-methoxy-4-methylpyrrolidine-1-carboxylate;methane
CID 163714648
tert-butyl (4S)-3-[(4,4-dimethylcyclohexyl)amino]-4-methoxypyrrolidine-1-carboxylate
CID 107244862
tert-butyl (3S)-3-methoxy-4-(4-methoxybutan-2-ylamino)pyrrolidine-1-carboxylate
CID 103843166
tert-butyl (4S)-3-(heptan-3-ylamino)-4-methoxypyrrolidine-1-carboxylate
CID 107244773

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4R)-3-methoxy-4-(methylamino)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,4R)-3-methoxy-4-(methylamino)pyrrolidine-1-carboxylate (CID 98008324) is tert-butyl (3R,4R)-3-methoxy-4-(methylamino)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,4R)-3-methoxy-4-(methylamino)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,4R)-3-methoxy-4-(methylamino)pyrrolidine-1-carboxylate is CN[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1OC.
What is the InChIKey of tert-butyl (3R,4R)-3-methoxy-4-(methylamino)pyrrolidine-1-carboxylate?
The InChIKey is AAKFNMYHCBQIQV-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-6-8(12-4)9(7-13)15-5/h8-9,12H,6-7H2,1-5H3/t8-,9-/m1/s1.
What are the key properties of tert-butyl (3R,4R)-3-methoxy-4-(methylamino)pyrrolidine-1-carboxylate?
tert-butyl (3R,4R)-3-methoxy-4-(methylamino)pyrrolidine-1-carboxylate has a molecular weight of 230.31 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,4R)-3-methoxy-4-(methylamino)pyrrolidine-1-carboxylate is sourced from PubChem (CID 98008324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).