ethyl 3-amino-2-pyridin-3-ylpropanoate;dihydrochloride

C10H16Cl2N2O2 — CID 19697901

IUPACethyl 3-amino-2-pyridin-3-ylpropanoate;dihydrochloride
SMILESCCOC(=O)C(CN)c1cccnc1.Cl.Cl
InChIInChI=1S/C10H14N2O2.2ClH/c1-2-14-10(13)9(6-11)8-4-3-5-12-7-8;;/h3-5,7,9H,2,6,11H2,1H3;2*1H
InChIKeyZLBOANTUHPUYNB-UHFFFAOYSA-N
MW267.16 g/mol
LogP1.53
Rot. Bonds4

About ethyl 3-amino-2-pyridin-3-ylpropanoate;dihydrochloride

ethyl 3-amino-2-pyridin-3-ylpropanoate;dihydrochloride (PubChem CID 19697901) has the molecular formula C10H16Cl2N2O2 and a molecular weight of 267.16 g/mol. Its IUPAC name is ethyl 3-amino-2-pyridin-3-ylpropanoate;dihydrochloride.

Molecular Properties

Compound Nameethyl 3-amino-2-pyridin-3-ylpropanoate;dihydrochloride
PubChem CID19697901
Molecular FormulaC10H16Cl2N2O2
Molecular Weight267.16 g/mol
Exact Mass266.06
IUPAC Nameethyl 3-amino-2-pyridin-3-ylpropanoate;dihydrochloride
SMILESCCOC(=O)C(CN)c1cccnc1.Cl.Cl
InChIInChI=1S/C10H14N2O2.2ClH/c1-2-14-10(13)9(6-11)8-4-3-5-12-7-8;;/h3-5,7,9H,2,6,11H2,1H3;2*1H
InChIKeyZLBOANTUHPUYNB-UHFFFAOYSA-N
XLogP1.53
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate;dihydrochloride
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ethyl (2S)-2-cyano-2-pyridin-3-ylacetate
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ethyl 3-pyridin-3-ylbutanoate
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ethyl 3-[(2-aminoacetyl)amino]-3-pyridin-3-ylpropanoate;dihydrochloride
CID 70248930
ethyl 3-(propylamino)-3-pyridin-3-ylpropanoate
CID 65235826
4-O-tert-butyl 1-O-ethyl (3R)-3-methyl-2-pyridin-3-ylbutanedioate
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ethyl 2-[[(1S)-1-pyridin-3-ylethyl]amino]acetate
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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-2-pyridin-3-ylpropanoate;dihydrochloride?
The IUPAC name of ethyl 3-amino-2-pyridin-3-ylpropanoate;dihydrochloride (CID 19697901) is ethyl 3-amino-2-pyridin-3-ylpropanoate;dihydrochloride.
What is the SMILES notation for ethyl 3-amino-2-pyridin-3-ylpropanoate;dihydrochloride?
The canonical SMILES for ethyl 3-amino-2-pyridin-3-ylpropanoate;dihydrochloride is CCOC(=O)C(CN)c1cccnc1.Cl.Cl.
What is the InChIKey of ethyl 3-amino-2-pyridin-3-ylpropanoate;dihydrochloride?
The InChIKey is ZLBOANTUHPUYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2.2ClH/c1-2-14-10(13)9(6-11)8-4-3-5-12-7-8;;/h3-5,7,9H,2,6,11H2,1H3;2*1H.
What are the key properties of ethyl 3-amino-2-pyridin-3-ylpropanoate;dihydrochloride?
ethyl 3-amino-2-pyridin-3-ylpropanoate;dihydrochloride has a molecular weight of 267.16 g/mol, XLogP of 1.53, 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-pyridin-3-ylpropanoate;dihydrochloride is sourced from PubChem (CID 19697901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).