ethyl 2-amino-3-(4-chlorophenyl)propanoate;hydrochloride

C11H15Cl2NO2 — CID 2723926

IUPACethyl 2-amino-3-(4-chlorophenyl)propanoate;hydrochloride
SMILESCCOC(=O)C(N)Cc1ccc(Cl)cc1.Cl
InChIInChI=1S/C11H14ClNO2.ClH/c1-2-15-11(14)10(13)7-8-3-5-9(12)6-4-8;/h3-6,10H,2,7,13H2,1H3;1H
InChIKeyFDQIKGOQYNZYOO-UHFFFAOYSA-N
MW264.15 g/mol
LogP2.19
Rot. Bonds4

About ethyl 2-amino-3-(4-chlorophenyl)propanoate;hydrochloride

ethyl 2-amino-3-(4-chlorophenyl)propanoate;hydrochloride (PubChem CID 2723926) has the molecular formula C11H15Cl2NO2 and a molecular weight of 264.15 g/mol. Its IUPAC name is ethyl 2-amino-3-(4-chlorophenyl)propanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-amino-3-(4-chlorophenyl)propanoate;hydrochloride
PubChem CID2723926
Molecular FormulaC11H15Cl2NO2
Molecular Weight264.15 g/mol
Exact Mass263.05
IUPAC Nameethyl 2-amino-3-(4-chlorophenyl)propanoate;hydrochloride
SMILESCCOC(=O)C(N)Cc1ccc(Cl)cc1.Cl
InChIInChI=1S/C11H14ClNO2.ClH/c1-2-15-11(14)10(13)7-8-3-5-9(12)6-4-8;/h3-6,10H,2,7,13H2,1H3;1H
InChIKeyFDQIKGOQYNZYOO-UHFFFAOYSA-N
XLogP2.19
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(4-chlorophenyl)propanoate;hydrochloride?
The IUPAC name of ethyl 2-amino-3-(4-chlorophenyl)propanoate;hydrochloride (CID 2723926) is ethyl 2-amino-3-(4-chlorophenyl)propanoate;hydrochloride.
What is the SMILES notation for ethyl 2-amino-3-(4-chlorophenyl)propanoate;hydrochloride?
The canonical SMILES for ethyl 2-amino-3-(4-chlorophenyl)propanoate;hydrochloride is CCOC(=O)C(N)Cc1ccc(Cl)cc1.Cl.
What is the InChIKey of ethyl 2-amino-3-(4-chlorophenyl)propanoate;hydrochloride?
The InChIKey is FDQIKGOQYNZYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2.ClH/c1-2-15-11(14)10(13)7-8-3-5-9(12)6-4-8;/h3-6,10H,2,7,13H2,1H3;1H.
What are the key properties of ethyl 2-amino-3-(4-chlorophenyl)propanoate;hydrochloride?
ethyl 2-amino-3-(4-chlorophenyl)propanoate;hydrochloride has a molecular weight of 264.15 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(4-chlorophenyl)propanoate;hydrochloride is sourced from PubChem (CID 2723926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).