(1-amino-2-methylpropan-2-yl) 3-methoxypyrrolidine-1-carboxylate

C10H20N2O3 — CID 70427418

IUPAC(1-amino-2-methylpropan-2-yl) 3-methoxypyrrolidine-1-carboxylate
SMILESCOC1CCN(C(=O)OC(C)(C)CN)C1
InChIInChI=1S/C10H20N2O3/c1-10(2,7-11)15-9(13)12-5-4-8(6-12)14-3/h8H,4-7,11H2,1-3H3
InChIKeyZANKCTICIDVMRM-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.58
Rot. Bonds3

About (1-amino-2-methylpropan-2-yl) 3-methoxypyrrolidine-1-carboxylate

(1-amino-2-methylpropan-2-yl) 3-methoxypyrrolidine-1-carboxylate (PubChem CID 70427418) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is (1-amino-2-methylpropan-2-yl) 3-methoxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Name(1-amino-2-methylpropan-2-yl) 3-methoxypyrrolidine-1-carboxylate
PubChem CID70427418
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name(1-amino-2-methylpropan-2-yl) 3-methoxypyrrolidine-1-carboxylate
SMILESCOC1CCN(C(=O)OC(C)(C)CN)C1
InChIInChI=1S/C10H20N2O3/c1-10(2,7-11)15-9(13)12-5-4-8(6-12)14-3/h8H,4-7,11H2,1-3H3
InChIKeyZANKCTICIDVMRM-UHFFFAOYSA-N
XLogP0.58
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-methoxypyrrolidine-1-carboxylate;methanol;molecular hydrogen
CID 172596059
tert-butyl (3S)-3-hydroxypyrrolidine-1-carboxylate;tert-butyl (3S)-3-methoxypyrrolidine-1-carboxylate
CID 162048844
methyl (3S)-3-methoxypyrrolidine-1-carboxylate
CID 58826696
methyl (3R)-3-methoxypyrrolidine-1-carboxylate
CID 123673110
2-amino-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 66564445
2-(aminomethyl)-1-(3-methoxypyrrolidin-1-yl)-2-methylbutan-1-one
CID 103531981
2-[(3R)-3-methoxypyrrolidin-1-yl]-2-oxoacetamide
CID 90229085
2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoacetamide
CID 90229138
tert-butyl (3S)-3-(2-aminoethoxy)pyrrolidine-1-carboxylate
CID 96551969
(1-amino-2-methylpropan-2-yl) (3R,5R)-3,5-dimethylpiperazine-1-carboxylate
CID 154966065
tert-butyl (3R)-3-hydroperoxypyrrolidine-1-carboxylate
CID 146427923
1-(3-methoxypyrrolidin-1-yl)ethanone
CID 19039602

Frequently Asked Questions

What is the IUPAC name of (1-amino-2-methylpropan-2-yl) 3-methoxypyrrolidine-1-carboxylate?
The IUPAC name of (1-amino-2-methylpropan-2-yl) 3-methoxypyrrolidine-1-carboxylate (CID 70427418) is (1-amino-2-methylpropan-2-yl) 3-methoxypyrrolidine-1-carboxylate.
What is the SMILES notation for (1-amino-2-methylpropan-2-yl) 3-methoxypyrrolidine-1-carboxylate?
The canonical SMILES for (1-amino-2-methylpropan-2-yl) 3-methoxypyrrolidine-1-carboxylate is COC1CCN(C(=O)OC(C)(C)CN)C1.
What is the InChIKey of (1-amino-2-methylpropan-2-yl) 3-methoxypyrrolidine-1-carboxylate?
The InChIKey is ZANKCTICIDVMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-10(2,7-11)15-9(13)12-5-4-8(6-12)14-3/h8H,4-7,11H2,1-3H3.
What are the key properties of (1-amino-2-methylpropan-2-yl) 3-methoxypyrrolidine-1-carboxylate?
(1-amino-2-methylpropan-2-yl) 3-methoxypyrrolidine-1-carboxylate has a molecular weight of 216.28 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-2-methylpropan-2-yl) 3-methoxypyrrolidine-1-carboxylate is sourced from PubChem (CID 70427418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).