(2R,4S)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoic acid;hypochlorous acid

C18H22ClNO3 — CID 122454136

IUPAC(2R,4S)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoic acid;hypochlorous acid
SMILESC[C@H](C[C@H](N)Cc1ccc(-c2ccccc2)cc1)C(=O)O.OCl
InChIInChI=1S/C18H21NO2.ClHO/c1-13(18(20)21)11-17(19)12-14-7-9-16(10-8-14)15-5-3-2-4-6-15;1-2/h2-10,13,17H,11-12,19H2,1H3,(H,20,21);2H/t13-,17+;/m1./s1
InChIKeyYSLCYHQURRXRPD-YNDBEVAQSA-N
MW335.83 g/mol
LogP3.47
Rot. Bonds6

About (2R,4S)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoic acid;hypochlorous acid

(2R,4S)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoic acid;hypochlorous acid (PubChem CID 122454136) has the molecular formula C18H22ClNO3 and a molecular weight of 335.83 g/mol. Its IUPAC name is (2R,4S)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoic acid;hypochlorous acid.

Molecular Properties

Compound Name(2R,4S)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoic acid;hypochlorous acid
PubChem CID122454136
Molecular FormulaC18H22ClNO3
Molecular Weight335.83 g/mol
Exact Mass335.13
IUPAC Name(2R,4S)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoic acid;hypochlorous acid
SMILESC[C@H](C[C@H](N)Cc1ccc(-c2ccccc2)cc1)C(=O)O.OCl
InChIInChI=1S/C18H21NO2.ClHO/c1-13(18(20)21)11-17(19)12-14-7-9-16(10-8-14)15-5-3-2-4-6-15;1-2/h2-10,13,17H,11-12,19H2,1H3,(H,20,21);2H/t13-,17+;/m1./s1
InChIKeyYSLCYHQURRXRPD-YNDBEVAQSA-N
XLogP3.47
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.83
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2R,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate
CID 11722991
ethyl (2S,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate;hydrochloride
CID 127255946
(2R)-6-amino-2-methyl-7-(4-phenylphenyl)heptanoic acid
CID 59318450
4-N-methyl-1-(4-phenylphenyl)pentane-2,4-diamine
CID 155029957
benzyl (2R,4S)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate;(2R,4S)-4-[[(1R)-1-carboxyethyl]carbamoylamino]-2-methyl-5-(4-phenylphenyl)pentanoic acid
CID 161010035
(2R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoic acid;(5S)-1-(2,2-dimethylpropanoyl)-3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one;methane
CID 158311901
3-[4-[4-(1-aminoethyl)phenyl]phenyl]-2-methylpropanoic acid
CID 166996996
(2S)-2-amino-3-[4-(4-phenylphenyl)phenyl]propanoic acid;hydrochloride
CID 70131876
(3R)-3-amino-4-(4-phenylphenyl)butan-2-one
CID 159098025
prop-2-enyl (2S,4R)-4-amino-2-methyl-5-phenylpentanoate
CID 59197617
4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoic acid
CID 123714771
1-(4-phenylphenyl)butan-2-amine
CID 23591877

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoic acid;hypochlorous acid?
The IUPAC name of (2R,4S)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoic acid;hypochlorous acid (CID 122454136) is (2R,4S)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoic acid;hypochlorous acid.
What is the SMILES notation for (2R,4S)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoic acid;hypochlorous acid?
The canonical SMILES for (2R,4S)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoic acid;hypochlorous acid is C[C@H](C[C@H](N)Cc1ccc(-c2ccccc2)cc1)C(=O)O.OCl.
What is the InChIKey of (2R,4S)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoic acid;hypochlorous acid?
The InChIKey is YSLCYHQURRXRPD-YNDBEVAQSA-N. The full InChI is InChI=1S/C18H21NO2.ClHO/c1-13(18(20)21)11-17(19)12-14-7-9-16(10-8-14)15-5-3-2-4-6-15;1-2/h2-10,13,17H,11-12,19H2,1H3,(H,20,21);2H/t13-,17+;/m1./s1.
What are the key properties of (2R,4S)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoic acid;hypochlorous acid?
(2R,4S)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoic acid;hypochlorous acid has a molecular weight of 335.83 g/mol, XLogP of 3.47, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoic acid;hypochlorous acid is sourced from PubChem (CID 122454136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).