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

C11H22N2O2 — CID 171586842

IUPACethyl 3-amino-2-(1-methylpiperidin-2-yl)propanoate
SMILESCCOC(=O)C(CN)C1CCCCN1C
InChIInChI=1S/C11H22N2O2/c1-3-15-11(14)9(8-12)10-6-4-5-7-13(10)2/h9-10H,3-8,12H2,1-2H3
InChIKeySKEWQBIPWOBTSQ-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.61
Rot. Bonds4

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

ethyl 3-amino-2-(1-methylpiperidin-2-yl)propanoate (PubChem CID 171586842) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is ethyl 3-amino-2-(1-methylpiperidin-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-amino-2-(1-methylpiperidin-2-yl)propanoate
PubChem CID171586842
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nameethyl 3-amino-2-(1-methylpiperidin-2-yl)propanoate
SMILESCCOC(=O)C(CN)C1CCCCN1C
InChIInChI=1S/C11H22N2O2/c1-3-15-11(14)9(8-12)10-6-4-5-7-13(10)2/h9-10H,3-8,12H2,1-2H3
InChIKeySKEWQBIPWOBTSQ-UHFFFAOYSA-N
XLogP0.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl piperidin-2-ylacetate
CID 436981
Methyl 2-(5,5-dimethylpiperidin-2-yl)acetate hydrochloride
CID 137944063
rac-methyl 2-methyl-2-[(2R,4S)-4-methylpiperidin-2-yl]propanoate
CID 165908130
Ethyl 2-(propylamino)cyclohexane-1-carboxylate
CID 57577723
Diethyl 2-(5-fluoropiperidin-2-yl)propanedioate
CID 70802207
Fluoro 2-(5-methylpiperidin-2-yl)acetate
CID 144113093
ethyl 2-[(2S,6S)-6-methylpiperidin-2-yl]acetate
CID 15358223
Methyl 2-[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperidin-2-yl]acetate
CID 103366332
Methyl 2-(5,5-dimethylpiperidin-2-yl)acetate
CID 137944064
ethyl 2-[(2R,5S)-5-methylpiperidin-2-yl]acetate
CID 10867039
Ethyl 7-piperidin-4-ylheptanoate
CID 10800166
Ethyl 4-(piperidin-4-yl)-2-methylbutanoate
CID 11298836

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-2-(1-methylpiperidin-2-yl)propanoate?
The IUPAC name of ethyl 3-amino-2-(1-methylpiperidin-2-yl)propanoate (CID 171586842) is ethyl 3-amino-2-(1-methylpiperidin-2-yl)propanoate.
What is the SMILES notation for ethyl 3-amino-2-(1-methylpiperidin-2-yl)propanoate?
The canonical SMILES for ethyl 3-amino-2-(1-methylpiperidin-2-yl)propanoate is CCOC(=O)C(CN)C1CCCCN1C.
What is the InChIKey of ethyl 3-amino-2-(1-methylpiperidin-2-yl)propanoate?
The InChIKey is SKEWQBIPWOBTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-15-11(14)9(8-12)10-6-4-5-7-13(10)2/h9-10H,3-8,12H2,1-2H3.
What are the key properties of ethyl 3-amino-2-(1-methylpiperidin-2-yl)propanoate?
ethyl 3-amino-2-(1-methylpiperidin-2-yl)propanoate has a molecular weight of 214.31 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-2-(1-methylpiperidin-2-yl)propanoate is sourced from PubChem (CID 171586842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).