4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoic acid

C17H18ClNO3 — CID 123714771

IUPAC4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoic acid
SMILESNC(Cc1ccc(-c2cccc(Cl)c2)cc1)CC(O)C(=O)O
InChIInChI=1S/C17H18ClNO3/c18-14-3-1-2-13(9-14)12-6-4-11(5-7-12)8-15(19)10-16(20)17(21)22/h1-7,9,15-16,20H,8,10,19H2,(H,21,22)
InChIKeyBVFPYVYHLIBVCM-UHFFFAOYSA-N
MW319.79 g/mol
LogP2.71
Rot. Bonds6

About 4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoic acid

4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoic acid (PubChem CID 123714771) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is 4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoic acid.

Molecular Properties

Compound Name4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoic acid
PubChem CID123714771
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC Name4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoic acid
SMILESNC(Cc1ccc(-c2cccc(Cl)c2)cc1)CC(O)C(=O)O
InChIInChI=1S/C17H18ClNO3/c18-14-3-1-2-13(9-14)12-6-4-11(5-7-12)8-15(19)10-16(20)17(21)22/h1-7,9,15-16,20H,8,10,19H2,(H,21,22)
InChIKeyBVFPYVYHLIBVCM-UHFFFAOYSA-N
XLogP2.71
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoate
CID 90399401
acetyloxymethyl 4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoate
CID 123806863
2,2,3,3,3-pentafluoropropyl (2R,4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoate
CID 86705141
ethoxycarbonyloxymethyl (4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoate
CID 129017032
(2R)-3-amino-4-[4-(3-chlorophenyl)phenyl]-2-methoxybutanoic acid
CID 141436142
(4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-1-phenoxypentan-2-one
CID 59607810
(2R,4R)-5-[4-(3-chlorophenyl)phenyl]-2-hydroxy-4-[[2-oxo-2-(pyridin-4-ylamino)acetyl]amino]pentanoic acid
CID 90386915
(2R,4R)-5-[4-(3-chlorophenyl)phenyl]-2-hydroxy-4-[(2-oxo-3-phenylpropanoyl)amino]pentanoic acid
CID 78324883
(2R,4R)-5-[4-(3-chlorophenyl)phenyl]-4-[(2-ethoxyacetyl)amino]-2-hydroxypentanoic acid
CID 90387048
chloromethane;methyl (2R,3R)-3-amino-4-[4-(3-chlorophenyl)phenyl]-2-hydroxybutanoate;methyl (2S,3R)-3-amino-4-[4-(3-chlorophenyl)phenyl]-2-hydroxybutanoate
CID 159151888
(2R,4S)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoic acid;hypochlorous acid
CID 122454136
2-amino-2-[4-(3-chlorophenyl)phenyl]acetic acid
CID 77129538

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoic acid?
The IUPAC name of 4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoic acid (CID 123714771) is 4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoic acid.
What is the SMILES notation for 4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoic acid?
The canonical SMILES for 4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoic acid is NC(Cc1ccc(-c2cccc(Cl)c2)cc1)CC(O)C(=O)O.
What is the InChIKey of 4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoic acid?
The InChIKey is BVFPYVYHLIBVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c18-14-3-1-2-13(9-14)12-6-4-11(5-7-12)8-15(19)10-16(20)17(21)22/h1-7,9,15-16,20H,8,10,19H2,(H,21,22).
What are the key properties of 4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoic acid?
4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoic acid has a molecular weight of 319.79 g/mol, XLogP of 2.71, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoic acid is sourced from PubChem (CID 123714771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).