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

C22H25NO6 — CID 10000973

IUPAC(2R,4R)-5-(2-carboxyethylamino)-2-methoxy-5-oxo-4-[(4-phenylphenyl)methyl]pentanoic acid
SMILESCO[C@H](CC(Cc1ccc(-c2ccccc2)cc1)C(=O)NCCC(=O)O)C(=O)O
InChIInChI=1S/C22H25NO6/c1-29-19(22(27)28)14-18(21(26)23-12-11-20(24)25)13-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,18-19H,11-14H2,1H3,(H,23,26)(H,24,25)(H,27,28)/t18?,19-/m1/s1
InChIKeyHWUUDUPOJSYHQD-MUMRKEEXSA-N
MW399.44 g/mol
LogP2.59
Rot. Bonds11

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

(2R,4R)-5-(2-carboxyethylamino)-2-methoxy-5-oxo-4-[(4-phenylphenyl)methyl]pentanoic acid (PubChem CID 10000973) has the molecular formula C22H25NO6 and a molecular weight of 399.44 g/mol. Its IUPAC name is (2R,4R)-5-(2-carboxyethylamino)-2-methoxy-5-oxo-4-[(4-phenylphenyl)methyl]pentanoic acid.

Molecular Properties

Compound Name(2R,4R)-5-(2-carboxyethylamino)-2-methoxy-5-oxo-4-[(4-phenylphenyl)methyl]pentanoic acid
PubChem CID10000973
Molecular FormulaC22H25NO6
Molecular Weight399.44 g/mol
Exact Mass399.17
IUPAC Name(2R,4R)-5-(2-carboxyethylamino)-2-methoxy-5-oxo-4-[(4-phenylphenyl)methyl]pentanoic acid
SMILESCO[C@H](CC(Cc1ccc(-c2ccccc2)cc1)C(=O)NCCC(=O)O)C(=O)O
InChIInChI=1S/C22H25NO6/c1-29-19(22(27)28)14-18(21(26)23-12-11-20(24)25)13-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,18-19H,11-14H2,1H3,(H,23,26)(H,24,25)(H,27,28)/t18?,19-/m1/s1
InChIKeyHWUUDUPOJSYHQD-MUMRKEEXSA-N
XLogP2.59
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-5-(2-carboxyethylamino)-2-methoxy-5-oxo-4-[(4-phenylphenyl)methyl]pentanoic acid?
The IUPAC name of (2R,4R)-5-(2-carboxyethylamino)-2-methoxy-5-oxo-4-[(4-phenylphenyl)methyl]pentanoic acid (CID 10000973) is (2R,4R)-5-(2-carboxyethylamino)-2-methoxy-5-oxo-4-[(4-phenylphenyl)methyl]pentanoic acid.
What is the SMILES notation for (2R,4R)-5-(2-carboxyethylamino)-2-methoxy-5-oxo-4-[(4-phenylphenyl)methyl]pentanoic acid?
The canonical SMILES for (2R,4R)-5-(2-carboxyethylamino)-2-methoxy-5-oxo-4-[(4-phenylphenyl)methyl]pentanoic acid is CO[C@H](CC(Cc1ccc(-c2ccccc2)cc1)C(=O)NCCC(=O)O)C(=O)O.
What is the InChIKey of (2R,4R)-5-(2-carboxyethylamino)-2-methoxy-5-oxo-4-[(4-phenylphenyl)methyl]pentanoic acid?
The InChIKey is HWUUDUPOJSYHQD-MUMRKEEXSA-N. The full InChI is InChI=1S/C22H25NO6/c1-29-19(22(27)28)14-18(21(26)23-12-11-20(24)25)13-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,18-19H,11-14H2,1H3,(H,23,26)(H,24,25)(H,27,28)/t18?,19-/m1/s1.
What are the key properties of (2R,4R)-5-(2-carboxyethylamino)-2-methoxy-5-oxo-4-[(4-phenylphenyl)methyl]pentanoic acid?
(2R,4R)-5-(2-carboxyethylamino)-2-methoxy-5-oxo-4-[(4-phenylphenyl)methyl]pentanoic acid has a molecular weight of 399.44 g/mol, XLogP of 2.59, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-5-(2-carboxyethylamino)-2-methoxy-5-oxo-4-[(4-phenylphenyl)methyl]pentanoic acid is sourced from PubChem (CID 10000973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).