4-amino-2-(ethoxymethyl)-2-methyl-5-(4-phenylphenyl)pentanoic acid

C21H27NO3 — CID 123675450

IUPAC4-amino-2-(ethoxymethyl)-2-methyl-5-(4-phenylphenyl)pentanoic acid
SMILESCCOCC(C)(CC(N)Cc1ccc(-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C21H27NO3/c1-3-25-15-21(2,20(23)24)14-19(22)13-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12,19H,3,13-15,22H2,1-2H3,(H,23,24)
InChIKeyBTFSFSGNFIMOAZ-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.74
Rot. Bonds9

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

4-amino-2-(ethoxymethyl)-2-methyl-5-(4-phenylphenyl)pentanoic acid (PubChem CID 123675450) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 4-amino-2-(ethoxymethyl)-2-methyl-5-(4-phenylphenyl)pentanoic acid.

Molecular Properties

Compound Name4-amino-2-(ethoxymethyl)-2-methyl-5-(4-phenylphenyl)pentanoic acid
PubChem CID123675450
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name4-amino-2-(ethoxymethyl)-2-methyl-5-(4-phenylphenyl)pentanoic acid
SMILESCCOCC(C)(CC(N)Cc1ccc(-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C21H27NO3/c1-3-25-15-21(2,20(23)24)14-19(22)13-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12,19H,3,13-15,22H2,1-2H3,(H,23,24)
InChIKeyBTFSFSGNFIMOAZ-UHFFFAOYSA-N
XLogP3.74
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-amino-2-(2-ethoxyethyl)-2-methyl-5-(4-phenylphenyl)pentanoic acid
CID 155105037
(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
(2S,4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-2-(2-ethoxyethyl)-2-methylpentanoic acid
CID 155105000
ethoxycarbonyloxymethyl 4-amino-2-(hydroxymethyl)-2-methyl-5-(4-phenylphenyl)pentanoate
CID 77419050
(2S,4R)-4-amino-5-[4-(5-chloro-2-fluorophenyl)phenyl]-2-(2-ethoxyethyl)-2-methylpentanoic acid
CID 129189574
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
(2S,4R)-2-(hydroxymethyl)-2-methyl-4-[(4-phenylphenyl)methyl]hexanoic acid
CID 147166484
tert-butyl 2-amino-3-(4-phenylphenyl)propanoate;hydrochloride
CID 141206452
(2S,4R)-4-amino-2-(methoxymethyl)-2-methyl-5-(4-phenylphenyl)pentanoic acid;(2S,4R)-2-(methoxymethyl)-2-methyl-5-(4-phenylphenyl)-4-(2H-triazole-4-carbonylamino)pentanoic acid;2H-triazole-4-carboxylic acid
CID 162193345
(3R)-3-amino-4-(4-phenylphenyl)butan-2-one
CID 159098025
(7S)-7-amino-5-(ethoxymethyl)-8-(4-phenylphenyl)octan-4-one
CID 149424437

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(ethoxymethyl)-2-methyl-5-(4-phenylphenyl)pentanoic acid?
The IUPAC name of 4-amino-2-(ethoxymethyl)-2-methyl-5-(4-phenylphenyl)pentanoic acid (CID 123675450) is 4-amino-2-(ethoxymethyl)-2-methyl-5-(4-phenylphenyl)pentanoic acid.
What is the SMILES notation for 4-amino-2-(ethoxymethyl)-2-methyl-5-(4-phenylphenyl)pentanoic acid?
The canonical SMILES for 4-amino-2-(ethoxymethyl)-2-methyl-5-(4-phenylphenyl)pentanoic acid is CCOCC(C)(CC(N)Cc1ccc(-c2ccccc2)cc1)C(=O)O.
What is the InChIKey of 4-amino-2-(ethoxymethyl)-2-methyl-5-(4-phenylphenyl)pentanoic acid?
The InChIKey is BTFSFSGNFIMOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-3-25-15-21(2,20(23)24)14-19(22)13-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12,19H,3,13-15,22H2,1-2H3,(H,23,24).
What are the key properties of 4-amino-2-(ethoxymethyl)-2-methyl-5-(4-phenylphenyl)pentanoic acid?
4-amino-2-(ethoxymethyl)-2-methyl-5-(4-phenylphenyl)pentanoic acid has a molecular weight of 341.45 g/mol, XLogP of 3.74, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(ethoxymethyl)-2-methyl-5-(4-phenylphenyl)pentanoic acid is sourced from PubChem (CID 123675450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).