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

methyl 2-amino-2-cyclopropyl-3-(3-methoxypyrrolidin-1-yl)propanoate
CID 103538014
ethyl 2-amino-2-methyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propanoate
CID 81199412
methyl 2-(cyclopropylamino)-3-(3-methoxypyrrolidin-1-yl)-2-methylpropanoate
CID 103537978
2-amino-4-(3-methoxypyrrolidin-1-yl)-2-methylbutanamide
CID 103538003
ethyl 2-(ethylamino)-6-(3-methoxypyrrolidin-1-yl)-2-methylhexanoate
CID 103538059
3-(3-methoxypyrrolidin-1-yl)-2,2-dimethylpropan-1-ol
CID 103539225
2-cyclopropyl-2-(cyclopropylamino)-3-(3-methoxypyrrolidin-1-yl)propanamide
CID 103537930
ethyl 2-amino-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpropanoate
CID 81474841
1-(3-methoxypiperidin-1-yl)-2-methylbutan-2-amine
CID 102963723
ethyl 2-amino-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylhexanoate
CID 64581948
ethane;ethyl 2-(4-methoxypiperidin-1-yl)acetate
CID 176667443
3-(3-methoxypyrrolidin-1-yl)-2-methyl-2-phenylpropanoic acid
CID 103539211

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).