ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate;dihydrochloride

C10H16Cl2N2O2 — CID 44891224

IUPACethyl (3S)-3-amino-3-pyridin-3-ylpropanoate;dihydrochloride
SMILESCCOC(=O)C[C@H](N)c1cccnc1.Cl.Cl
InChIInChI=1S/C10H14N2O2.2ClH/c1-2-14-10(13)6-9(11)8-4-3-5-12-7-8;;/h3-5,7,9H,2,6,11H2,1H3;2*1H/t9-;;/m0../s1
InChIKeyGGANVLPLTUQZIF-WWPIYYJJSA-N
MW267.16 g/mol
LogP1.88
Rot. Bonds4

About ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate;dihydrochloride

ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate;dihydrochloride (PubChem CID 44891224) has the molecular formula C10H16Cl2N2O2 and a molecular weight of 267.16 g/mol. Its IUPAC name is ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate;dihydrochloride.

Molecular Properties

Compound Nameethyl (3S)-3-amino-3-pyridin-3-ylpropanoate;dihydrochloride
PubChem CID44891224
Molecular FormulaC10H16Cl2N2O2
Molecular Weight267.16 g/mol
Exact Mass266.06
IUPAC Nameethyl (3S)-3-amino-3-pyridin-3-ylpropanoate;dihydrochloride
SMILESCCOC(=O)C[C@H](N)c1cccnc1.Cl.Cl
InChIInChI=1S/C10H14N2O2.2ClH/c1-2-14-10(13)6-9(11)8-4-3-5-12-7-8;;/h3-5,7,9H,2,6,11H2,1H3;2*1H/t9-;;/m0../s1
InChIKeyGGANVLPLTUQZIF-WWPIYYJJSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-amino-N-methoxy-N-methyl-3-pyridin-3-ylpropanamide;dihydrochloride
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ethyl 3-[(2-aminoacetyl)amino]-3-pyridin-3-ylpropanoate;dihydrochloride
CID 70248930
3-amino-3-pyridin-3-ylpropanamide;methanamine
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2,3-dihydroxybutanedioic acid;methyl (3S)-3-amino-3-pyridin-3-ylpropanoate
CID 158321669
ethyl 2-[[(1S)-1-pyridin-3-ylethyl]amino]acetate
CID 81405022
(1R)-3-methyl-1-pyridin-3-ylbut-3-en-1-amine;hydrochloride
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ethyl 3-(propylamino)-3-pyridin-3-ylpropanoate
CID 65235826
ethyl 3-amino-2-pyridin-3-ylpropanoate;dihydrochloride
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CID 130868428

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate;dihydrochloride?
The IUPAC name of ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate;dihydrochloride (CID 44891224) is ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate;dihydrochloride.
What is the SMILES notation for ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate;dihydrochloride?
The canonical SMILES for ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate;dihydrochloride is CCOC(=O)C[C@H](N)c1cccnc1.Cl.Cl.
What is the InChIKey of ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate;dihydrochloride?
The InChIKey is GGANVLPLTUQZIF-WWPIYYJJSA-N. The full InChI is InChI=1S/C10H14N2O2.2ClH/c1-2-14-10(13)6-9(11)8-4-3-5-12-7-8;;/h3-5,7,9H,2,6,11H2,1H3;2*1H/t9-;;/m0../s1.
What are the key properties of ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate;dihydrochloride?
ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate;dihydrochloride has a molecular weight of 267.16 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate;dihydrochloride is sourced from PubChem (CID 44891224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).