ethyl 2-amino-3-(3-propylphenyl)propanoate;hydrochloride

C14H22ClNO2 — CID 135364891

IUPACethyl 2-amino-3-(3-propylphenyl)propanoate;hydrochloride
SMILESCCCc1cccc(CC(N)C(=O)OCC)c1.Cl
InChIInChI=1S/C14H21NO2.ClH/c1-3-6-11-7-5-8-12(9-11)10-13(15)14(16)17-4-2;/h5,7-9,13H,3-4,6,10,15H2,1-2H3;1H
InChIKeyYGXLQLDPQUTZCH-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.49
Rot. Bonds6

About ethyl 2-amino-3-(3-propylphenyl)propanoate;hydrochloride

ethyl 2-amino-3-(3-propylphenyl)propanoate;hydrochloride (PubChem CID 135364891) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is ethyl 2-amino-3-(3-propylphenyl)propanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-amino-3-(3-propylphenyl)propanoate;hydrochloride
PubChem CID135364891
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Nameethyl 2-amino-3-(3-propylphenyl)propanoate;hydrochloride
SMILESCCCc1cccc(CC(N)C(=O)OCC)c1.Cl
InChIInChI=1S/C14H21NO2.ClH/c1-3-6-11-7-5-8-12(9-11)10-13(15)14(16)17-4-2;/h5,7-9,13H,3-4,6,10,15H2,1-2H3;1H
InChIKeyYGXLQLDPQUTZCH-UHFFFAOYSA-N
XLogP2.49
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2R)-2-amino-3-(3-methylphenyl)propanoate
CID 92959953
ethyl (2S)-2-amino-3-(3-hydroxyphenyl)propanoate
CID 54017853
ethyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 141026874
ethyl 2-amino-3-[3-(3,5-dimethylphenyl)phenyl]propanoate
CID 170885045
ethyl (2R)-2-amino-3-(3-cyanophenyl)propanoate
CID 70081034
ethyl (2S)-2-amino-3-phenylpropanoate;hydron;chloride
CID 74764559
ethyl (2S)-2-amino-3-phenylpropanoate;hypochlorous acid
CID 69027171
ethyl 2-amino-3-[3-(3,4-dimethylphenyl)phenyl]propanoate
CID 170885611
3-methyl-4-(3-propylphenyl)butan-2-one
CID 126489202
ethyl 2-amino-3-[3-(4-fluorophenyl)phenyl]propanoate
CID 170884879
ethyl 2-amino-3-[3-(4-methoxyphenyl)phenyl]propanoate
CID 170884966
ethyl 2-amino-3-phenylpropanoate;isocyanic acid
CID 175019136

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(3-propylphenyl)propanoate;hydrochloride?
The IUPAC name of ethyl 2-amino-3-(3-propylphenyl)propanoate;hydrochloride (CID 135364891) is ethyl 2-amino-3-(3-propylphenyl)propanoate;hydrochloride.
What is the SMILES notation for ethyl 2-amino-3-(3-propylphenyl)propanoate;hydrochloride?
The canonical SMILES for ethyl 2-amino-3-(3-propylphenyl)propanoate;hydrochloride is CCCc1cccc(CC(N)C(=O)OCC)c1.Cl.
What is the InChIKey of ethyl 2-amino-3-(3-propylphenyl)propanoate;hydrochloride?
The InChIKey is YGXLQLDPQUTZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2.ClH/c1-3-6-11-7-5-8-12(9-11)10-13(15)14(16)17-4-2;/h5,7-9,13H,3-4,6,10,15H2,1-2H3;1H.
What are the key properties of ethyl 2-amino-3-(3-propylphenyl)propanoate;hydrochloride?
ethyl 2-amino-3-(3-propylphenyl)propanoate;hydrochloride has a molecular weight of 271.79 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(3-propylphenyl)propanoate;hydrochloride is sourced from PubChem (CID 135364891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).