ethyl 6-amino-3-phenylhexanoate;hydrochloride

C14H22ClNO2 — CID 18322859

IUPACethyl 6-amino-3-phenylhexanoate;hydrochloride
SMILESCCOC(=O)CC(CCCN)c1ccccc1.Cl
InChIInChI=1S/C14H21NO2.ClH/c1-2-17-14(16)11-13(9-6-10-15)12-7-4-3-5-8-12;/h3-5,7-8,13H,2,6,9-11,15H2,1H3;1H
InChIKeyRUUIDGWMIRMESR-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.88
Rot. Bonds7

About ethyl 6-amino-3-phenylhexanoate;hydrochloride

ethyl 6-amino-3-phenylhexanoate;hydrochloride (PubChem CID 18322859) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is ethyl 6-amino-3-phenylhexanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 6-amino-3-phenylhexanoate;hydrochloride
PubChem CID18322859
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Nameethyl 6-amino-3-phenylhexanoate;hydrochloride
SMILESCCOC(=O)CC(CCCN)c1ccccc1.Cl
InChIInChI=1S/C14H21NO2.ClH/c1-2-17-14(16)11-13(9-6-10-15)12-7-4-3-5-8-12;/h3-5,7-8,13H,2,6,9-11,15H2,1H3;1H
InChIKeyRUUIDGWMIRMESR-UHFFFAOYSA-N
XLogP2.88
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3S)-6-amino-3-phenylhexanoate
CID 70000941
ethyl 4-fluoro-3-phenylbutanoate
CID 121436006
(3S)-5-ethoxy-5-oxo-3-phenylpentanoate
CID 71354440
5-ethoxy-5-oxo-3-phenylpentanoate
CID 71341671
(3S)-7-amino-3-phenylheptanoic acid
CID 70002010
ethyl (3S)-3-hydroxy-3-phenylpropanoate
CID 853697
ethyl 3-phenylhex-5-enoate
CID 11481375
methyl 3-phenylundecanoate
CID 608715
ethyl 4-(carbamoylamino)-3-phenylbutanoate
CID 174939908
ethyl (4S,6R)-6-hydroxy-4-phenylheptanoate
CID 10944846
ethyl 4-diethoxyphosphoryl-3-phenylbutanoate
CID 50906118
methyl 4-amino-3-phenylbutanoate;hydrochloride
CID 68748102

Frequently Asked Questions

What is the IUPAC name of ethyl 6-amino-3-phenylhexanoate;hydrochloride?
The IUPAC name of ethyl 6-amino-3-phenylhexanoate;hydrochloride (CID 18322859) is ethyl 6-amino-3-phenylhexanoate;hydrochloride.
What is the SMILES notation for ethyl 6-amino-3-phenylhexanoate;hydrochloride?
The canonical SMILES for ethyl 6-amino-3-phenylhexanoate;hydrochloride is CCOC(=O)CC(CCCN)c1ccccc1.Cl.
What is the InChIKey of ethyl 6-amino-3-phenylhexanoate;hydrochloride?
The InChIKey is RUUIDGWMIRMESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2.ClH/c1-2-17-14(16)11-13(9-6-10-15)12-7-4-3-5-8-12;/h3-5,7-8,13H,2,6,9-11,15H2,1H3;1H.
What are the key properties of ethyl 6-amino-3-phenylhexanoate;hydrochloride?
ethyl 6-amino-3-phenylhexanoate;hydrochloride has a molecular weight of 271.79 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-amino-3-phenylhexanoate;hydrochloride is sourced from PubChem (CID 18322859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).