(4R)-4-amino-2-(2-ethoxyethyl)-2-methyl-5-(4-phenylphenyl)pentanoic acid

C22H29NO3 — CID 155105037

IUPAC(4R)-4-amino-2-(2-ethoxyethyl)-2-methyl-5-(4-phenylphenyl)pentanoic acid
SMILESCCOCCC(C)(C[C@H](N)Cc1ccc(-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C22H29NO3/c1-3-26-14-13-22(2,21(24)25)16-20(23)15-17-9-11-19(12-10-17)18-7-5-4-6-8-18/h4-12,20H,3,13-16,23H2,1-2H3,(H,24,25)/t20-,22?/m1/s1
InChIKeyARPNCQJCSZTVHJ-PSDZMVHGSA-N
MW355.48 g/mol
LogP4.13
Rot. Bonds10

About (4R)-4-amino-2-(2-ethoxyethyl)-2-methyl-5-(4-phenylphenyl)pentanoic acid

(4R)-4-amino-2-(2-ethoxyethyl)-2-methyl-5-(4-phenylphenyl)pentanoic acid (PubChem CID 155105037) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is (4R)-4-amino-2-(2-ethoxyethyl)-2-methyl-5-(4-phenylphenyl)pentanoic acid.

Molecular Properties

Compound Name(4R)-4-amino-2-(2-ethoxyethyl)-2-methyl-5-(4-phenylphenyl)pentanoic acid
PubChem CID155105037
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name(4R)-4-amino-2-(2-ethoxyethyl)-2-methyl-5-(4-phenylphenyl)pentanoic acid
SMILESCCOCCC(C)(C[C@H](N)Cc1ccc(-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C22H29NO3/c1-3-26-14-13-22(2,21(24)25)16-20(23)15-17-9-11-19(12-10-17)18-7-5-4-6-8-18/h4-12,20H,3,13-16,23H2,1-2H3,(H,24,25)/t20-,22?/m1/s1
InChIKeyARPNCQJCSZTVHJ-PSDZMVHGSA-N
XLogP4.13
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S,4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-2-(2-ethoxyethyl)-2-methylpentanoic acid
CID 155105000
4-amino-2-(ethoxymethyl)-2-methyl-5-(4-phenylphenyl)pentanoic acid
CID 123675450
(2S,4R)-4-amino-5-[4-(5-chloro-2-fluorophenyl)phenyl]-2-(2-ethoxyethyl)-2-methylpentanoic acid
CID 129189574
(2S,4R)-4-amino-2-(hydroxymethyl)-2-methyl-5-(4-phenylphenyl)pentanoic acid;ethyl (2S,4R)-4-amino-2-(hydroxymethyl)-2-methyl-5-(4-phenylphenyl)pentanoate
CID 161128828
benzyl (2S,4R)-4-amino-5-[4-(5-chloro-2-fluorophenyl)phenyl]-2-(2-ethoxyethyl)-2-methylpentanoate
CID 129189570
ethoxycarbonyloxymethyl 4-amino-2-(hydroxymethyl)-2-methyl-5-(4-phenylphenyl)pentanoate
CID 77419050
ethyl (2S,4R)-4-amino-5-[4-(5-chloro-2-fluorophenyl)phenyl]-2-(2-ethoxyethyl)-2-methylpentanoate
CID 139484110
ethyl (2R,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate
CID 11722991
(2S,4R)-2-(hydroxymethyl)-2-methyl-4-[(4-phenylphenyl)methyl]hexanoic acid
CID 147166484
ethyl (2S,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate;hydrochloride
CID 127255946
tert-butyl 2-amino-3-(4-phenylphenyl)propanoate;hydrochloride
CID 141206452
ethyl (2S,4S)-4-amino-2-(methoxymethyl)-5-(4-phenylphenyl)pentanoate
CID 118252261

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-2-(2-ethoxyethyl)-2-methyl-5-(4-phenylphenyl)pentanoic acid?
The IUPAC name of (4R)-4-amino-2-(2-ethoxyethyl)-2-methyl-5-(4-phenylphenyl)pentanoic acid (CID 155105037) is (4R)-4-amino-2-(2-ethoxyethyl)-2-methyl-5-(4-phenylphenyl)pentanoic acid.
What is the SMILES notation for (4R)-4-amino-2-(2-ethoxyethyl)-2-methyl-5-(4-phenylphenyl)pentanoic acid?
The canonical SMILES for (4R)-4-amino-2-(2-ethoxyethyl)-2-methyl-5-(4-phenylphenyl)pentanoic acid is CCOCCC(C)(C[C@H](N)Cc1ccc(-c2ccccc2)cc1)C(=O)O.
What is the InChIKey of (4R)-4-amino-2-(2-ethoxyethyl)-2-methyl-5-(4-phenylphenyl)pentanoic acid?
The InChIKey is ARPNCQJCSZTVHJ-PSDZMVHGSA-N. The full InChI is InChI=1S/C22H29NO3/c1-3-26-14-13-22(2,21(24)25)16-20(23)15-17-9-11-19(12-10-17)18-7-5-4-6-8-18/h4-12,20H,3,13-16,23H2,1-2H3,(H,24,25)/t20-,22?/m1/s1.
What are the key properties of (4R)-4-amino-2-(2-ethoxyethyl)-2-methyl-5-(4-phenylphenyl)pentanoic acid?
(4R)-4-amino-2-(2-ethoxyethyl)-2-methyl-5-(4-phenylphenyl)pentanoic acid has a molecular weight of 355.48 g/mol, XLogP of 4.13, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-2-(2-ethoxyethyl)-2-methyl-5-(4-phenylphenyl)pentanoic acid is sourced from PubChem (CID 155105037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).