ethyl (4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoate

C19H22ClNO3 — CID 90399401

IUPACethyl (4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoate
SMILESCCOC(=O)C(O)C[C@H](N)Cc1ccc(-c2cccc(Cl)c2)cc1
InChIInChI=1S/C19H22ClNO3/c1-2-24-19(23)18(22)12-17(21)10-13-6-8-14(9-7-13)15-4-3-5-16(20)11-15/h3-9,11,17-18,22H,2,10,12,21H2,1H3/t17-,18?/m1/s1
InChIKeyHUXUEVMMHYSCFT-QNSVNVJESA-N
MW347.84 g/mol
LogP3.19
Rot. Bonds7

About ethyl (4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoate

ethyl (4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoate (PubChem CID 90399401) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is ethyl (4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoate.

Molecular Properties

Compound Nameethyl (4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoate
PubChem CID90399401
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC Nameethyl (4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoate
SMILESCCOC(=O)C(O)C[C@H](N)Cc1ccc(-c2cccc(Cl)c2)cc1
InChIInChI=1S/C19H22ClNO3/c1-2-24-19(23)18(22)12-17(21)10-13-6-8-14(9-7-13)15-4-3-5-16(20)11-15/h3-9,11,17-18,22H,2,10,12,21H2,1H3/t17-,18?/m1/s1
InChIKeyHUXUEVMMHYSCFT-QNSVNVJESA-N
XLogP3.19
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethoxycarbonyloxymethyl (4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoate
CID 129017032
acetyloxymethyl 4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoate
CID 123806863
4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoic acid
CID 123714771
2,2,3,3,3-pentafluoropropyl (2R,4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoate
CID 86705141
ethyl (2R,4R)-4-amino-5-[4-(5-chloro-2-fluorophenyl)phenyl]-2-hydroxypentanoate
CID 86705150
ethyl (2R)-3-amino-4-[4-(3-chlorophenyl)phenyl]-2-methoxybutanoate
CID 67208813
4-[[(2S,4S)-1-[4-(3-chlorophenyl)phenyl]-5-ethoxy-4-methyl-5-oxopentan-2-yl]amino]-4-oxobutanoic acid;ethyl (4S)-4-amino-5-[4-(3-chlorophenyl)phenyl]-2-methylpentanoate;hydrochloride
CID 159906622
chloromethane;ethyl (2R,3R)-3-amino-4-[4-(3-chlorophenyl)phenyl]-2-methoxybutanoate;ethyl (2S,3R)-3-amino-4-[4-(3-chlorophenyl)phenyl]-2-methoxybutanoate
CID 159184442
ethyl (4R)-4-amino-5-(4-bromophenyl)-2-hydroxypentanoate
CID 126659714
ethyl 5-[4-(3-chlorophenyl)phenyl]-2-hydroxy-4-[(1-hydroxytriazole-4-carbonyl)amino]pentanoate
CID 76530401
(2S)-3-[4-(3-chlorophenyl)phenyl]-2-[[(2S)-1-ethoxy-1-oxo-3-phenylpropan-2-yl]amino]propanoic acid
CID 58280549
ethyl (2R,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate
CID 11722991

Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoate?
The IUPAC name of ethyl (4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoate (CID 90399401) is ethyl (4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoate.
What is the SMILES notation for ethyl (4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoate?
The canonical SMILES for ethyl (4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoate is CCOC(=O)C(O)C[C@H](N)Cc1ccc(-c2cccc(Cl)c2)cc1.
What is the InChIKey of ethyl (4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoate?
The InChIKey is HUXUEVMMHYSCFT-QNSVNVJESA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-2-24-19(23)18(22)12-17(21)10-13-6-8-14(9-7-13)15-4-3-5-16(20)11-15/h3-9,11,17-18,22H,2,10,12,21H2,1H3/t17-,18?/m1/s1.
What are the key properties of ethyl (4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoate?
ethyl (4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoate has a molecular weight of 347.84 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoate is sourced from PubChem (CID 90399401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).