(2R,4S)-5-(2-carboxyethylamino)-2-methyl-5-oxo-4-[(4-phenylphenyl)methyl]pentanoic acid

C22H25NO5 — CID 10475044

IUPAC(2R,4S)-5-(2-carboxyethylamino)-2-methyl-5-oxo-4-[(4-phenylphenyl)methyl]pentanoic acid
SMILESC[C@H](CC(Cc1ccc(-c2ccccc2)cc1)C(=O)NCCC(=O)O)C(=O)O
InChIInChI=1S/C22H25NO5/c1-15(22(27)28)13-19(21(26)23-12-11-20(24)25)14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,15,19H,11-14H2,1H3,(H,23,26)(H,24,25)(H,27,28)/t15-,19?/m1/s1
InChIKeyWNXCXPRMZCGVNM-NYRJJRHWSA-N
MW383.44 g/mol
LogP3.21
Rot. Bonds10

About (2R,4S)-5-(2-carboxyethylamino)-2-methyl-5-oxo-4-[(4-phenylphenyl)methyl]pentanoic acid

(2R,4S)-5-(2-carboxyethylamino)-2-methyl-5-oxo-4-[(4-phenylphenyl)methyl]pentanoic acid (PubChem CID 10475044) has the molecular formula C22H25NO5 and a molecular weight of 383.44 g/mol. Its IUPAC name is (2R,4S)-5-(2-carboxyethylamino)-2-methyl-5-oxo-4-[(4-phenylphenyl)methyl]pentanoic acid.

Molecular Properties

Compound Name(2R,4S)-5-(2-carboxyethylamino)-2-methyl-5-oxo-4-[(4-phenylphenyl)methyl]pentanoic acid
PubChem CID10475044
Molecular FormulaC22H25NO5
Molecular Weight383.44 g/mol
Exact Mass383.17
IUPAC Name(2R,4S)-5-(2-carboxyethylamino)-2-methyl-5-oxo-4-[(4-phenylphenyl)methyl]pentanoic acid
SMILESC[C@H](CC(Cc1ccc(-c2ccccc2)cc1)C(=O)NCCC(=O)O)C(=O)O
InChIInChI=1S/C22H25NO5/c1-15(22(27)28)13-19(21(26)23-12-11-20(24)25)14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,15,19H,11-14H2,1H3,(H,23,26)(H,24,25)(H,27,28)/t15-,19?/m1/s1
InChIKeyWNXCXPRMZCGVNM-NYRJJRHWSA-N
XLogP3.21
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-5-(2-carboxyethylamino)-2-methyl-5-oxo-4-[(4-phenylphenyl)methyl]pentanoic acid?
The IUPAC name of (2R,4S)-5-(2-carboxyethylamino)-2-methyl-5-oxo-4-[(4-phenylphenyl)methyl]pentanoic acid (CID 10475044) is (2R,4S)-5-(2-carboxyethylamino)-2-methyl-5-oxo-4-[(4-phenylphenyl)methyl]pentanoic acid.
What is the SMILES notation for (2R,4S)-5-(2-carboxyethylamino)-2-methyl-5-oxo-4-[(4-phenylphenyl)methyl]pentanoic acid?
The canonical SMILES for (2R,4S)-5-(2-carboxyethylamino)-2-methyl-5-oxo-4-[(4-phenylphenyl)methyl]pentanoic acid is C[C@H](CC(Cc1ccc(-c2ccccc2)cc1)C(=O)NCCC(=O)O)C(=O)O.
What is the InChIKey of (2R,4S)-5-(2-carboxyethylamino)-2-methyl-5-oxo-4-[(4-phenylphenyl)methyl]pentanoic acid?
The InChIKey is WNXCXPRMZCGVNM-NYRJJRHWSA-N. The full InChI is InChI=1S/C22H25NO5/c1-15(22(27)28)13-19(21(26)23-12-11-20(24)25)14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,15,19H,11-14H2,1H3,(H,23,26)(H,24,25)(H,27,28)/t15-,19?/m1/s1.
What are the key properties of (2R,4S)-5-(2-carboxyethylamino)-2-methyl-5-oxo-4-[(4-phenylphenyl)methyl]pentanoic acid?
(2R,4S)-5-(2-carboxyethylamino)-2-methyl-5-oxo-4-[(4-phenylphenyl)methyl]pentanoic acid has a molecular weight of 383.44 g/mol, XLogP of 3.21, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-5-(2-carboxyethylamino)-2-methyl-5-oxo-4-[(4-phenylphenyl)methyl]pentanoic acid is sourced from PubChem (CID 10475044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).