ethyl (3R)-3-amino-3-(2-phenylmethoxyphenyl)propanoate;hydrochloride

C18H22ClNO3 — CID 171214311

IUPACethyl (3R)-3-amino-3-(2-phenylmethoxyphenyl)propanoate;hydrochloride
SMILESCCOC(=O)C[C@@H](N)c1ccccc1OCc1ccccc1.Cl
InChIInChI=1S/C18H21NO3.ClH/c1-2-21-18(20)12-16(19)15-10-6-7-11-17(15)22-13-14-8-4-3-5-9-14;/h3-11,16H,2,12-13,19H2,1H3;1H/t16-;/m1./s1
InChIKeyLBAMCQZWEHJVEH-PKLMIRHRSA-N
MW335.83 g/mol
LogP3.64
Rot. Bonds7

About ethyl (3R)-3-amino-3-(2-phenylmethoxyphenyl)propanoate;hydrochloride

ethyl (3R)-3-amino-3-(2-phenylmethoxyphenyl)propanoate;hydrochloride (PubChem CID 171214311) has the molecular formula C18H22ClNO3 and a molecular weight of 335.83 g/mol. Its IUPAC name is ethyl (3R)-3-amino-3-(2-phenylmethoxyphenyl)propanoate;hydrochloride.

Molecular Properties

Compound Nameethyl (3R)-3-amino-3-(2-phenylmethoxyphenyl)propanoate;hydrochloride
PubChem CID171214311
Molecular FormulaC18H22ClNO3
Molecular Weight335.83 g/mol
Exact Mass335.13
IUPAC Nameethyl (3R)-3-amino-3-(2-phenylmethoxyphenyl)propanoate;hydrochloride
SMILESCCOC(=O)C[C@@H](N)c1ccccc1OCc1ccccc1.Cl
InChIInChI=1S/C18H21NO3.ClH/c1-2-21-18(20)12-16(19)15-10-6-7-11-17(15)22-13-14-8-4-3-5-9-14;/h3-11,16H,2,12-13,19H2,1H3;1H/t16-;/m1./s1
InChIKeyLBAMCQZWEHJVEH-PKLMIRHRSA-N
XLogP3.64
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.83
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3R)-3-amino-3-(2-phenylmethoxyphenyl)propanoate
CID 171251115
ethyl (3S)-3-amino-3-(2-methoxyphenyl)propanoate;hydrochloride
CID 171220006
ethyl (3S)-3-amino-3-(4-phenylmethoxyphenyl)propanoate;hydrochloride
CID 171230805
2-amino-2-(2-phenylmethoxyphenyl)ethanol
CID 77130440
(1R)-1-(2-phenylmethoxyphenyl)pentan-1-amine;hydrochloride
CID 171214274
ethyl (3R)-3-amino-3-(4-methoxy-3-phenylmethoxyphenyl)propanoate
CID 171213027
propyl 3-hydroxy-3-(2-phenylmethoxyphenyl)propanoate
CID 54420934
(1S)-1-(2-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 71758033
ethyl 2-[2-(1-aminopropyl)phenoxy]acetate
CID 60877898
ethyl 3-[2,4-bis(phenylmethoxy)phenyl]butanoate
CID 138513593
methyl 3-hydroxy-2-(2-phenylmethoxyphenyl)butanoate
CID 11990868
(2R)-2-(2-phenylmethoxyphenyl)propanoic acid
CID 129363475

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-amino-3-(2-phenylmethoxyphenyl)propanoate;hydrochloride?
The IUPAC name of ethyl (3R)-3-amino-3-(2-phenylmethoxyphenyl)propanoate;hydrochloride (CID 171214311) is ethyl (3R)-3-amino-3-(2-phenylmethoxyphenyl)propanoate;hydrochloride.
What is the SMILES notation for ethyl (3R)-3-amino-3-(2-phenylmethoxyphenyl)propanoate;hydrochloride?
The canonical SMILES for ethyl (3R)-3-amino-3-(2-phenylmethoxyphenyl)propanoate;hydrochloride is CCOC(=O)C[C@@H](N)c1ccccc1OCc1ccccc1.Cl.
What is the InChIKey of ethyl (3R)-3-amino-3-(2-phenylmethoxyphenyl)propanoate;hydrochloride?
The InChIKey is LBAMCQZWEHJVEH-PKLMIRHRSA-N. The full InChI is InChI=1S/C18H21NO3.ClH/c1-2-21-18(20)12-16(19)15-10-6-7-11-17(15)22-13-14-8-4-3-5-9-14;/h3-11,16H,2,12-13,19H2,1H3;1H/t16-;/m1./s1.
What are the key properties of ethyl (3R)-3-amino-3-(2-phenylmethoxyphenyl)propanoate;hydrochloride?
ethyl (3R)-3-amino-3-(2-phenylmethoxyphenyl)propanoate;hydrochloride has a molecular weight of 335.83 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-amino-3-(2-phenylmethoxyphenyl)propanoate;hydrochloride is sourced from PubChem (CID 171214311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).