(4R)-4-[(2-phenylacetyl)amino]-5-(4-phenylmethoxyphenyl)pentanoic acid

C26H27NO4 — CID 159786241

IUPAC(4R)-4-[(2-phenylacetyl)amino]-5-(4-phenylmethoxyphenyl)pentanoic acid
SMILESO=C(O)CC[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)Cc1ccccc1
InChIInChI=1S/C26H27NO4/c28-25(18-20-7-3-1-4-8-20)27-23(13-16-26(29)30)17-21-11-14-24(15-12-21)31-19-22-9-5-2-6-10-22/h1-12,14-15,23H,13,16-19H2,(H,27,28)(H,29,30)/t23-/m1/s1
InChIKeyCWFGLVGMIKQHKS-HSZRJFAPSA-N
MW417.51 g/mol
LogP4.40
Rot. Bonds11

About (4R)-4-[(2-phenylacetyl)amino]-5-(4-phenylmethoxyphenyl)pentanoic acid

(4R)-4-[(2-phenylacetyl)amino]-5-(4-phenylmethoxyphenyl)pentanoic acid (PubChem CID 159786241) has the molecular formula C26H27NO4 and a molecular weight of 417.51 g/mol. Its IUPAC name is (4R)-4-[(2-phenylacetyl)amino]-5-(4-phenylmethoxyphenyl)pentanoic acid.

Molecular Properties

Compound Name(4R)-4-[(2-phenylacetyl)amino]-5-(4-phenylmethoxyphenyl)pentanoic acid
PubChem CID159786241
Molecular FormulaC26H27NO4
Molecular Weight417.51 g/mol
Exact Mass417.19
IUPAC Name(4R)-4-[(2-phenylacetyl)amino]-5-(4-phenylmethoxyphenyl)pentanoic acid
SMILESO=C(O)CC[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)Cc1ccccc1
InChIInChI=1S/C26H27NO4/c28-25(18-20-7-3-1-4-8-20)27-23(13-16-26(29)30)17-21-11-14-24(15-12-21)31-19-22-9-5-2-6-10-22/h1-12,14-15,23H,13,16-19H2,(H,27,28)(H,29,30)/t23-/m1/s1
InChIKeyCWFGLVGMIKQHKS-HSZRJFAPSA-N
XLogP4.40
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid
CID 120547336
(4S)-5-(4-phenylmethoxyphenyl)-4-[3-(3-phenylpropoxy)propanoylamino]pentanoic acid
CID 58929433
4-[[2-(4-methylphenoxy)acetyl]amino]-5-phenylpentanoic acid
CID 120546662
5-phenyl-4-[[2-[(2-phenylacetyl)amino]acetyl]amino]pentanoic acid
CID 120547172
5-phenyl-4-[(2-thiophen-3-ylacetyl)amino]pentanoic acid
CID 120547119
N-[(2S)-5-amino-5-oxo-1-(4-phenylmethoxyphenyl)pentan-2-yl]-7-phenylheptanamide
CID 91026852
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
(3S)-3-(methoxycarbonylamino)-4-(4-phenylmethoxyphenyl)butanoic acid
CID 121482434
3-oxo-4-(4-phenylmethoxyphenyl)butanoic acid
CID 143233810
methyl 3-(4-phenylmethoxyphenyl)propanoate;3-(4-phenylmethoxyphenyl)propanoic acid
CID 161360857
4-[(2-methylsulfanylacetyl)amino]-5-phenylpentanoic acid
CID 120546684
(2S)-2-[(2-iodoacetyl)amino]-3-(4-phenylmethoxyphenyl)propanoic acid
CID 58683370

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(2-phenylacetyl)amino]-5-(4-phenylmethoxyphenyl)pentanoic acid?
The IUPAC name of (4R)-4-[(2-phenylacetyl)amino]-5-(4-phenylmethoxyphenyl)pentanoic acid (CID 159786241) is (4R)-4-[(2-phenylacetyl)amino]-5-(4-phenylmethoxyphenyl)pentanoic acid.
What is the SMILES notation for (4R)-4-[(2-phenylacetyl)amino]-5-(4-phenylmethoxyphenyl)pentanoic acid?
The canonical SMILES for (4R)-4-[(2-phenylacetyl)amino]-5-(4-phenylmethoxyphenyl)pentanoic acid is O=C(O)CC[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)Cc1ccccc1.
What is the InChIKey of (4R)-4-[(2-phenylacetyl)amino]-5-(4-phenylmethoxyphenyl)pentanoic acid?
The InChIKey is CWFGLVGMIKQHKS-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H27NO4/c28-25(18-20-7-3-1-4-8-20)27-23(13-16-26(29)30)17-21-11-14-24(15-12-21)31-19-22-9-5-2-6-10-22/h1-12,14-15,23H,13,16-19H2,(H,27,28)(H,29,30)/t23-/m1/s1.
What are the key properties of (4R)-4-[(2-phenylacetyl)amino]-5-(4-phenylmethoxyphenyl)pentanoic acid?
(4R)-4-[(2-phenylacetyl)amino]-5-(4-phenylmethoxyphenyl)pentanoic acid has a molecular weight of 417.51 g/mol, XLogP of 4.40, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(2-phenylacetyl)amino]-5-(4-phenylmethoxyphenyl)pentanoic acid is sourced from PubChem (CID 159786241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).