ethyl 2-amino-3-(3-methoxy-4-methylpiperidin-1-yl)propanoate

C12H24N2O3 — CID 102966332

IUPACethyl 2-amino-3-(3-methoxy-4-methylpiperidin-1-yl)propanoate
SMILESCCOC(=O)C(N)CN1CCC(C)C(OC)C1
InChIInChI=1S/C12H24N2O3/c1-4-17-12(15)10(13)7-14-6-5-9(2)11(8-14)16-3/h9-11H,4-8,13H2,1-3H3
InChIKeyAOGNUHQBCRZIDD-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.23
Rot. Bonds5

About ethyl 2-amino-3-(3-methoxy-4-methylpiperidin-1-yl)propanoate

ethyl 2-amino-3-(3-methoxy-4-methylpiperidin-1-yl)propanoate (PubChem CID 102966332) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is ethyl 2-amino-3-(3-methoxy-4-methylpiperidin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-(3-methoxy-4-methylpiperidin-1-yl)propanoate
PubChem CID102966332
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nameethyl 2-amino-3-(3-methoxy-4-methylpiperidin-1-yl)propanoate
SMILESCCOC(=O)C(N)CN1CCC(C)C(OC)C1
InChIInChI=1S/C12H24N2O3/c1-4-17-12(15)10(13)7-14-6-5-9(2)11(8-14)16-3/h9-11H,4-8,13H2,1-3H3
InChIKeyAOGNUHQBCRZIDD-UHFFFAOYSA-N
XLogP0.23
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(cyclopropylamino)-3-(3-methoxy-4-methylpiperidin-1-yl)propanoate
CID 102966348
(2S)-1-(3-methoxy-4-methylpiperidin-1-yl)propan-2-amine
CID 102965393
1-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]-3-[(3S,4S)-3-methoxy-4-methylpiperidin-1-yl]propan-2-ol
CID 124829258
1-cyclopropyl-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
CID 102965354
ethyl 2-amino-3-(4-methylazepan-1-yl)propanoate
CID 63623582
ethyl 3-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-2-(propylamino)propanoate
CID 102966305
ethyl 2-amino-3-(3,4-dimethylpiperazin-1-yl)propanoate
CID 63635584
2-(3-methoxy-4-methylpiperidin-1-yl)-1-(4-methylphenyl)ethanamine
CID 102965335
2-(3-methoxy-4-methylpiperidin-1-yl)pentan-3-one
CID 102960462
1-(3-methoxy-4-methylpiperidin-1-yl)-N-methylbutan-2-amine
CID 102965443
methyl 2-(ethylamino)-4-(3-methoxy-4-methylpiperidin-1-yl)butanoate
CID 102966363
ethyl 2-amino-3-(4,4-dimethylpiperidin-1-yl)propanoate
CID 62930265

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(3-methoxy-4-methylpiperidin-1-yl)propanoate?
The IUPAC name of ethyl 2-amino-3-(3-methoxy-4-methylpiperidin-1-yl)propanoate (CID 102966332) is ethyl 2-amino-3-(3-methoxy-4-methylpiperidin-1-yl)propanoate.
What is the SMILES notation for ethyl 2-amino-3-(3-methoxy-4-methylpiperidin-1-yl)propanoate?
The canonical SMILES for ethyl 2-amino-3-(3-methoxy-4-methylpiperidin-1-yl)propanoate is CCOC(=O)C(N)CN1CCC(C)C(OC)C1.
What is the InChIKey of ethyl 2-amino-3-(3-methoxy-4-methylpiperidin-1-yl)propanoate?
The InChIKey is AOGNUHQBCRZIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-4-17-12(15)10(13)7-14-6-5-9(2)11(8-14)16-3/h9-11H,4-8,13H2,1-3H3.
What are the key properties of ethyl 2-amino-3-(3-methoxy-4-methylpiperidin-1-yl)propanoate?
ethyl 2-amino-3-(3-methoxy-4-methylpiperidin-1-yl)propanoate has a molecular weight of 244.33 g/mol, XLogP of 0.23, 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-methoxy-4-methylpiperidin-1-yl)propanoate is sourced from PubChem (CID 102966332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).