ethyl (2R,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate

C20H25NO2 — CID 11722991

IUPACethyl (2R,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate
SMILESCCOC(=O)[C@H](C)C[C@@H](N)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H25NO2/c1-3-23-20(22)15(2)13-19(21)14-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12,15,19H,3,13-14,21H2,1-2H3/t15-,19-/m1/s1
InChIKeyOKDSPZRSANXDRL-DNVCBOLYSA-N
MW311.43 g/mol
LogP3.81
Rot. Bonds7

About ethyl (2R,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate

ethyl (2R,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate (PubChem CID 11722991) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is ethyl (2R,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate.

Molecular Properties

Compound Nameethyl (2R,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate
PubChem CID11722991
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Nameethyl (2R,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate
SMILESCCOC(=O)[C@H](C)C[C@@H](N)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H25NO2/c1-3-23-20(22)15(2)13-19(21)14-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12,15,19H,3,13-14,21H2,1-2H3/t15-,19-/m1/s1
InChIKeyOKDSPZRSANXDRL-DNVCBOLYSA-N
XLogP3.81
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl (2R,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (2S,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate;hydrochloride
CID 127255946
ethyl (2S,4S)-4-amino-2-(methoxymethyl)-5-(4-phenylphenyl)pentanoate
CID 118252261
(2R,4S)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoic acid;hypochlorous acid
CID 122454136
ethyl (2R)-4-diazenyl-2-methyl-5-(4-phenylphenyl)pentanoate
CID 122468486
prop-2-enyl (2S,4R)-4-amino-2-methyl-5-phenylpentanoate
CID 59197617
ethyl (2R,4S)-4-benzamido-2-methyl-5-(4-phenylphenyl)pentanoate
CID 141281932
ethyl (2R,4S)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate;ethyl (2R,4S)-4-[(2-methoxy-1,3-thiazole-5-carbonyl)amino]-2-methyl-5-(4-phenylphenyl)pentanoate;hydrochloride
CID 158560882
(7S)-7-amino-5-(ethoxymethyl)-8-(4-phenylphenyl)octan-4-one
CID 149424437
4-[[(2S,4S)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoic acid
CID 122172973
6-[[(2S,4R)-4-carboxy-1-(4-phenylphenyl)pentan-2-yl]carbamoyl]-2-ethoxypyrimidine-4-carboxylic acid;ethyl (2R,4S)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate
CID 159790668
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
ethyl (2R,4S)-4-(4,4-dihydroxybutanoylamino)-2-methyl-5-(4-phenylphenyl)pentanoate
CID 138720356

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate?
The IUPAC name of ethyl (2R,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate (CID 11722991) is ethyl (2R,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate.
What is the SMILES notation for ethyl (2R,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate?
The canonical SMILES for ethyl (2R,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate is CCOC(=O)[C@H](C)C[C@@H](N)Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of ethyl (2R,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate?
The InChIKey is OKDSPZRSANXDRL-DNVCBOLYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-3-23-20(22)15(2)13-19(21)14-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12,15,19H,3,13-14,21H2,1-2H3/t15-,19-/m1/s1.
What are the key properties of ethyl (2R,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate?
ethyl (2R,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate has a molecular weight of 311.43 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate is sourced from PubChem (CID 11722991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).