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

C11H15Cl2NO2 — CID 2847356

IUPACethyl 3-amino-3-(4-chlorophenyl)propanoate;hydrochloride
SMILESCCOC(=O)CC(N)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C11H14ClNO2.ClH/c1-2-15-11(14)7-10(13)8-3-5-9(12)6-4-8;/h3-6,10H,2,7,13H2,1H3;1H
InChIKeyGEFYSNMLNDGKHT-UHFFFAOYSA-N
MW264.15 g/mol
LogP2.71
Rot. Bonds4

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

ethyl 3-amino-3-(4-chlorophenyl)propanoate;hydrochloride (PubChem CID 2847356) has the molecular formula C11H15Cl2NO2 and a molecular weight of 264.15 g/mol. Its IUPAC name is ethyl 3-amino-3-(4-chlorophenyl)propanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 3-amino-3-(4-chlorophenyl)propanoate;hydrochloride
PubChem CID2847356
Molecular FormulaC11H15Cl2NO2
Molecular Weight264.15 g/mol
Exact Mass263.05
IUPAC Nameethyl 3-amino-3-(4-chlorophenyl)propanoate;hydrochloride
SMILESCCOC(=O)CC(N)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C11H14ClNO2.ClH/c1-2-15-11(14)7-10(13)8-3-5-9(12)6-4-8;/h3-6,10H,2,7,13H2,1H3;1H
InChIKeyGEFYSNMLNDGKHT-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-amino-3-(4-aminophenyl)propanoate
CID 90765917
ethyl (3S)-3-amino-3-(3,4-difluorophenyl)propanoate;hydrochloride
CID 171229658
ethyl (3S)-3-amino-3-(4-fluorophenyl)propanoate
CID 723060
ethyl 6-amino-6-(4-chlorophenyl)hexanoate
CID 60860824
ethyl (3S)-3-amino-3-(3-chlorophenyl)propanoate
CID 7047015
methyl 4-[(1S)-1-amino-3-ethoxy-3-oxopropyl]benzoate;hydrochloride
CID 171232319
ethyl (3S)-3-amino-3-(6-chloro-3-pyridinyl)propanoate
CID 171218331
ethyl (3S)-3-amino-3-(4-phenylphenyl)propanoate
CID 29059678
(2R,3R)-2-amino-3-(4-chlorophenyl)-5-ethoxy-5-oxopentanoic acid
CID 10827030
ethyl (3R)-3-amino-3-(4-chloro-2-fluorophenyl)propanoate;hydrochloride
CID 171202939
ethyl (3S)-3-amino-3-(3-chloro-5-methylphenyl)propanoate
CID 140851212
ethyl 3-amino-3-(4-propan-2-yloxyphenyl)propanoate
CID 4201753

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-3-(4-chlorophenyl)propanoate;hydrochloride?
The IUPAC name of ethyl 3-amino-3-(4-chlorophenyl)propanoate;hydrochloride (CID 2847356) is ethyl 3-amino-3-(4-chlorophenyl)propanoate;hydrochloride.
What is the SMILES notation for ethyl 3-amino-3-(4-chlorophenyl)propanoate;hydrochloride?
The canonical SMILES for ethyl 3-amino-3-(4-chlorophenyl)propanoate;hydrochloride is CCOC(=O)CC(N)c1ccc(Cl)cc1.Cl.
What is the InChIKey of ethyl 3-amino-3-(4-chlorophenyl)propanoate;hydrochloride?
The InChIKey is GEFYSNMLNDGKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2.ClH/c1-2-15-11(14)7-10(13)8-3-5-9(12)6-4-8;/h3-6,10H,2,7,13H2,1H3;1H.
What are the key properties of ethyl 3-amino-3-(4-chlorophenyl)propanoate;hydrochloride?
ethyl 3-amino-3-(4-chlorophenyl)propanoate;hydrochloride has a molecular weight of 264.15 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-3-(4-chlorophenyl)propanoate;hydrochloride is sourced from PubChem (CID 2847356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).