ethyl 2-amino-3-(3-methoxypyrrolidin-1-yl)-2-methylpropanoate

C11H22N2O3 — CID 103538027

IUPACethyl 2-amino-3-(3-methoxypyrrolidin-1-yl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(N)CN1CCC(OC)C1
InChIInChI=1S/C11H22N2O3/c1-4-16-10(14)11(2,12)8-13-6-5-9(7-13)15-3/h9H,4-8,12H2,1-3H3
InChIKeyBMHXFCYFLHOKEZ-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.01
Rot. Bonds5

About ethyl 2-amino-3-(3-methoxypyrrolidin-1-yl)-2-methylpropanoate

ethyl 2-amino-3-(3-methoxypyrrolidin-1-yl)-2-methylpropanoate (PubChem CID 103538027) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is ethyl 2-amino-3-(3-methoxypyrrolidin-1-yl)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-(3-methoxypyrrolidin-1-yl)-2-methylpropanoate
PubChem CID103538027
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nameethyl 2-amino-3-(3-methoxypyrrolidin-1-yl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(N)CN1CCC(OC)C1
InChIInChI=1S/C11H22N2O3/c1-4-16-10(14)11(2,12)8-13-6-5-9(7-13)15-3/h9H,4-8,12H2,1-3H3
InChIKeyBMHXFCYFLHOKEZ-UHFFFAOYSA-N
XLogP-0.01
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(Dimethylamino)pyrrolidin-3-yl] acetate
CID 19969887
Ethyl 3-amino-1-methylpyrrolidine-3-carboxylate
CID 62975120
Tert-butyl 3-amino-2-methyl-2-pyrrolidin-1-ylpropanoate
CID 67625730
(1-methylpyrrolidin-3-yl) (2S)-2-aminopropanoate
CID 133681662
Cyclopropyl 3-amino-1-methylpyrrolidine-3-carboxylate
CID 155783293
[(3S)-1-methylpyrrolidin-3-yl] (2S)-2-aminopropanoate
CID 156835931
[(3R)-1-methylpyrrolidin-3-yl] (2S)-2-aminopropanoate
CID 166753783
(1-Tert-butylpyrrolidin-3-yl) propanoate
CID 170100524
(4-Aminopyrrolidin-3-yl) 2,2-dimethylpropanoate
CID 174773267
[(3S,4S)-4-amino-1-methylpyrrolidin-3-yl] 2-methylpropanoate
CID 176191501
Propan-2-yl 2,3-bis(tert-butylamino)propanoate
CID 3030822
Ethyl 2-amino-2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)propanoate
CID 55152391

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(3-methoxypyrrolidin-1-yl)-2-methylpropanoate?
The IUPAC name of ethyl 2-amino-3-(3-methoxypyrrolidin-1-yl)-2-methylpropanoate (CID 103538027) is ethyl 2-amino-3-(3-methoxypyrrolidin-1-yl)-2-methylpropanoate.
What is the SMILES notation for ethyl 2-amino-3-(3-methoxypyrrolidin-1-yl)-2-methylpropanoate?
The canonical SMILES for ethyl 2-amino-3-(3-methoxypyrrolidin-1-yl)-2-methylpropanoate is CCOC(=O)C(C)(N)CN1CCC(OC)C1.
What is the InChIKey of ethyl 2-amino-3-(3-methoxypyrrolidin-1-yl)-2-methylpropanoate?
The InChIKey is BMHXFCYFLHOKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-4-16-10(14)11(2,12)8-13-6-5-9(7-13)15-3/h9H,4-8,12H2,1-3H3.
What are the key properties of ethyl 2-amino-3-(3-methoxypyrrolidin-1-yl)-2-methylpropanoate?
ethyl 2-amino-3-(3-methoxypyrrolidin-1-yl)-2-methylpropanoate has a molecular weight of 230.31 g/mol, XLogP of -0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(3-methoxypyrrolidin-1-yl)-2-methylpropanoate is sourced from PubChem (CID 103538027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).