ethyl (3R)-3-amino-5-[4-(5-chloro-2-fluorophenyl)phenyl]pentanoate

C19H21ClFNO2 — CID 149101647

IUPACethyl (3R)-3-amino-5-[4-(5-chloro-2-fluorophenyl)phenyl]pentanoate
SMILESCCOC(=O)C[C@H](N)CCc1ccc(-c2cc(Cl)ccc2F)cc1
InChIInChI=1S/C19H21ClFNO2/c1-2-24-19(23)12-16(22)9-5-13-3-6-14(7-4-13)17-11-15(20)8-10-18(17)21/h3-4,6-8,10-11,16H,2,5,9,12,22H2,1H3/t16-/m1/s1
InChIKeyQUSZXWSYUFEDKL-MRXNPFEDSA-N
MW349.83 g/mol
LogP4.36
Rot. Bonds7

About ethyl (3R)-3-amino-5-[4-(5-chloro-2-fluorophenyl)phenyl]pentanoate

ethyl (3R)-3-amino-5-[4-(5-chloro-2-fluorophenyl)phenyl]pentanoate (PubChem CID 149101647) has the molecular formula C19H21ClFNO2 and a molecular weight of 349.83 g/mol. Its IUPAC name is ethyl (3R)-3-amino-5-[4-(5-chloro-2-fluorophenyl)phenyl]pentanoate.

Molecular Properties

Compound Nameethyl (3R)-3-amino-5-[4-(5-chloro-2-fluorophenyl)phenyl]pentanoate
PubChem CID149101647
Molecular FormulaC19H21ClFNO2
Molecular Weight349.83 g/mol
Exact Mass349.12
IUPAC Nameethyl (3R)-3-amino-5-[4-(5-chloro-2-fluorophenyl)phenyl]pentanoate
SMILESCCOC(=O)C[C@H](N)CCc1ccc(-c2cc(Cl)ccc2F)cc1
InChIInChI=1S/C19H21ClFNO2/c1-2-24-19(23)12-16(22)9-5-13-3-6-14(7-4-13)17-11-15(20)8-10-18(17)21/h3-4,6-8,10-11,16H,2,5,9,12,22H2,1H3/t16-/m1/s1
InChIKeyQUSZXWSYUFEDKL-MRXNPFEDSA-N
XLogP4.36
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.83
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2,4-diamino-5-[4-(5-chloro-2-fluorophenyl)phenyl]pentanoate
CID 123922584
ethyl (2R,4R)-4-amino-5-[4-(5-chloro-2-fluorophenyl)phenyl]-2-hydroxypentanoate
CID 86705150
ethyl (2S,4S)-4-amino-5-[4-(5-chloro-2-fluorophenyl)phenyl]-2-(hydroxymethyl)pentanoate
CID 118259129
ethyl 3-[4-(2-amino-5-chloro-3-fluorophenyl)phenyl]propanoate
CID 156767959
ethyl (3R)-4-[4-(5-chloro-2-fluorophenyl)phenyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 59607556
ethyl (2R,4S)-4-amino-5-[4-(5-chloro-2-fluorophenyl)phenyl]-2-[2-(dimethylamino)ethyl]pentanoate
CID 126684544
ethyl (3S)-3-amino-3-(4-chloro-2-fluorophenyl)propanoate
CID 104980074
ethyl (3R)-3-amino-3-(4-chloro-2-fluorophenyl)propanoate;hydrochloride
CID 171202939
ethyl (3R)-3-amino-5-(3,4-dimethoxyphenyl)pentanoate
CID 23533716
ethyl (2S,4R)-4-amino-5-[4-(5-chloro-2-fluorophenyl)phenyl]-2-(2-ethoxyethyl)-2-methylpentanoate
CID 139484110
(4R)-4-amino-2-(2-azidoethyl)-6-[4-(5-chloro-2-fluorophenyl)phenyl]-2-(hydroxymethyl)hexanoic acid
CID 135209078
ethyl (4S)-5-[4-(5-chloro-2-fluorophenyl)phenyl]-4-(2-chlorohydrazinyl)-2-methylpentanoate
CID 118190901

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-amino-5-[4-(5-chloro-2-fluorophenyl)phenyl]pentanoate?
The IUPAC name of ethyl (3R)-3-amino-5-[4-(5-chloro-2-fluorophenyl)phenyl]pentanoate (CID 149101647) is ethyl (3R)-3-amino-5-[4-(5-chloro-2-fluorophenyl)phenyl]pentanoate.
What is the SMILES notation for ethyl (3R)-3-amino-5-[4-(5-chloro-2-fluorophenyl)phenyl]pentanoate?
The canonical SMILES for ethyl (3R)-3-amino-5-[4-(5-chloro-2-fluorophenyl)phenyl]pentanoate is CCOC(=O)C[C@H](N)CCc1ccc(-c2cc(Cl)ccc2F)cc1.
What is the InChIKey of ethyl (3R)-3-amino-5-[4-(5-chloro-2-fluorophenyl)phenyl]pentanoate?
The InChIKey is QUSZXWSYUFEDKL-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H21ClFNO2/c1-2-24-19(23)12-16(22)9-5-13-3-6-14(7-4-13)17-11-15(20)8-10-18(17)21/h3-4,6-8,10-11,16H,2,5,9,12,22H2,1H3/t16-/m1/s1.
What are the key properties of ethyl (3R)-3-amino-5-[4-(5-chloro-2-fluorophenyl)phenyl]pentanoate?
ethyl (3R)-3-amino-5-[4-(5-chloro-2-fluorophenyl)phenyl]pentanoate has a molecular weight of 349.83 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-amino-5-[4-(5-chloro-2-fluorophenyl)phenyl]pentanoate is sourced from PubChem (CID 149101647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).