1-methoxypropan-2-yl 3-amino-2-methylpyrrolidine-1-carboxylate

C10H20N2O3 — CID 170768698

IUPAC1-methoxypropan-2-yl 3-amino-2-methylpyrrolidine-1-carboxylate
SMILESCOCC(C)OC(=O)N1CCC(N)C1C
InChIInChI=1S/C10H20N2O3/c1-7(6-14-3)15-10(13)12-5-4-9(11)8(12)2/h7-9H,4-6,11H2,1-3H3
InChIKeyXUFFVNYTCFUJQE-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.58
Rot. Bonds3

About 1-methoxypropan-2-yl 3-amino-2-methylpyrrolidine-1-carboxylate

1-methoxypropan-2-yl 3-amino-2-methylpyrrolidine-1-carboxylate (PubChem CID 170768698) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-methoxypropan-2-yl 3-amino-2-methylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Name1-methoxypropan-2-yl 3-amino-2-methylpyrrolidine-1-carboxylate
PubChem CID170768698
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name1-methoxypropan-2-yl 3-amino-2-methylpyrrolidine-1-carboxylate
SMILESCOCC(C)OC(=O)N1CCC(N)C1C
InChIInChI=1S/C10H20N2O3/c1-7(6-14-3)15-10(13)12-5-4-9(11)8(12)2/h7-9H,4-6,11H2,1-3H3
InChIKeyXUFFVNYTCFUJQE-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

2-amino-1-(3-amino-2-methylpyrrolidin-1-yl)ethanone;hydrochloride
CID 130686037
1-methoxypropan-2-yl 2-sulfanylpropanoate
CID 91488591
3-amino-N-ethyl-2-methylpyrrolidine-1-carboxamide
CID 130557882
cis-1-methoxypropan-2-yl (1R,3S)-3-aminocyclopentane-1-carboxylate
CID 106323858
1-(3-amino-2-methylpyrrolidin-1-yl)-2,2-dimethylbutan-1-one
CID 130557857
1-(2-amino-3-methoxypropanoyl)-2-methylpyrrolidine-3-carboxylic acid
CID 81102347
1-O-tert-butyl 4-O-(1-methoxypropan-2-yl) piperidine-1,4-dicarboxylate
CID 68535093
1-(3-methoxy-2-methylpropyl)-2,3-dimethylpiperidin-4-amine
CID 79406409
tert-butyl (2R,3R)-3-amino-2-methylpiperidine-1-carboxylate;hydrochloride
CID 166638368
1-[3-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-methylpropan-1-one
CID 130834230
1-(4-amino-3-ethylpiperidin-1-yl)-4-methoxy-3-methylbutan-1-one
CID 81458526
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 81491720

Frequently Asked Questions

What is the IUPAC name of 1-methoxypropan-2-yl 3-amino-2-methylpyrrolidine-1-carboxylate?
The IUPAC name of 1-methoxypropan-2-yl 3-amino-2-methylpyrrolidine-1-carboxylate (CID 170768698) is 1-methoxypropan-2-yl 3-amino-2-methylpyrrolidine-1-carboxylate.
What is the SMILES notation for 1-methoxypropan-2-yl 3-amino-2-methylpyrrolidine-1-carboxylate?
The canonical SMILES for 1-methoxypropan-2-yl 3-amino-2-methylpyrrolidine-1-carboxylate is COCC(C)OC(=O)N1CCC(N)C1C.
What is the InChIKey of 1-methoxypropan-2-yl 3-amino-2-methylpyrrolidine-1-carboxylate?
The InChIKey is XUFFVNYTCFUJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-7(6-14-3)15-10(13)12-5-4-9(11)8(12)2/h7-9H,4-6,11H2,1-3H3.
What are the key properties of 1-methoxypropan-2-yl 3-amino-2-methylpyrrolidine-1-carboxylate?
1-methoxypropan-2-yl 3-amino-2-methylpyrrolidine-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-methoxypropan-2-yl 3-amino-2-methylpyrrolidine-1-carboxylate is sourced from PubChem (CID 170768698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).