(2S)-5-amino-5-oxo-2-[[2-phenyl-4-(pyridin-3-yloxymethyl)benzoyl]amino]pentanoic acid

C24H23N3O5 — CID 10574795

IUPAC(2S)-5-amino-5-oxo-2-[[2-phenyl-4-(pyridin-3-yloxymethyl)benzoyl]amino]pentanoic acid
SMILESNC(=O)CC[C@H](NC(=O)c1ccc(COc2cccnc2)cc1-c1ccccc1)C(=O)O
InChIInChI=1S/C24H23N3O5/c25-22(28)11-10-21(24(30)31)27-23(29)19-9-8-16(15-32-18-7-4-12-26-14-18)13-20(19)17-5-2-1-3-6-17/h1-9,12-14,21H,10-11,15H2,(H2,25,28)(H,27,29)(H,30,31)/t21-/m0/s1
InChIKeyYOCZOOZCVZXRAC-NRFANRHFSA-N
MW433.46 g/mol
LogP2.78
Rot. Bonds10

About (2S)-5-amino-5-oxo-2-[[2-phenyl-4-(pyridin-3-yloxymethyl)benzoyl]amino]pentanoic acid

(2S)-5-amino-5-oxo-2-[[2-phenyl-4-(pyridin-3-yloxymethyl)benzoyl]amino]pentanoic acid (PubChem CID 10574795) has the molecular formula C24H23N3O5 and a molecular weight of 433.46 g/mol. Its IUPAC name is (2S)-5-amino-5-oxo-2-[[2-phenyl-4-(pyridin-3-yloxymethyl)benzoyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-5-oxo-2-[[2-phenyl-4-(pyridin-3-yloxymethyl)benzoyl]amino]pentanoic acid
PubChem CID10574795
Molecular FormulaC24H23N3O5
Molecular Weight433.46 g/mol
Exact Mass433.16
IUPAC Name(2S)-5-amino-5-oxo-2-[[2-phenyl-4-(pyridin-3-yloxymethyl)benzoyl]amino]pentanoic acid
SMILESNC(=O)CC[C@H](NC(=O)c1ccc(COc2cccnc2)cc1-c1ccccc1)C(=O)O
InChIInChI=1S/C24H23N3O5/c25-22(28)11-10-21(24(30)31)27-23(29)19-9-8-16(15-32-18-7-4-12-26-14-18)13-20(19)17-5-2-1-3-6-17/h1-9,12-14,21H,10-11,15H2,(H2,25,28)(H,27,29)(H,30,31)/t21-/m0/s1
InChIKeyYOCZOOZCVZXRAC-NRFANRHFSA-N
XLogP2.78
TPSA131.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-5-oxo-2-[[2-phenyl-4-(pyridin-3-yloxymethyl)benzoyl]amino]pentanoic acid?
The IUPAC name of (2S)-5-amino-5-oxo-2-[[2-phenyl-4-(pyridin-3-yloxymethyl)benzoyl]amino]pentanoic acid (CID 10574795) is (2S)-5-amino-5-oxo-2-[[2-phenyl-4-(pyridin-3-yloxymethyl)benzoyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-5-amino-5-oxo-2-[[2-phenyl-4-(pyridin-3-yloxymethyl)benzoyl]amino]pentanoic acid?
The canonical SMILES for (2S)-5-amino-5-oxo-2-[[2-phenyl-4-(pyridin-3-yloxymethyl)benzoyl]amino]pentanoic acid is NC(=O)CC[C@H](NC(=O)c1ccc(COc2cccnc2)cc1-c1ccccc1)C(=O)O.
What is the InChIKey of (2S)-5-amino-5-oxo-2-[[2-phenyl-4-(pyridin-3-yloxymethyl)benzoyl]amino]pentanoic acid?
The InChIKey is YOCZOOZCVZXRAC-NRFANRHFSA-N. The full InChI is InChI=1S/C24H23N3O5/c25-22(28)11-10-21(24(30)31)27-23(29)19-9-8-16(15-32-18-7-4-12-26-14-18)13-20(19)17-5-2-1-3-6-17/h1-9,12-14,21H,10-11,15H2,(H2,25,28)(H,27,29)(H,30,31)/t21-/m0/s1.
What are the key properties of (2S)-5-amino-5-oxo-2-[[2-phenyl-4-(pyridin-3-yloxymethyl)benzoyl]amino]pentanoic acid?
(2S)-5-amino-5-oxo-2-[[2-phenyl-4-(pyridin-3-yloxymethyl)benzoyl]amino]pentanoic acid has a molecular weight of 433.46 g/mol, XLogP of 2.78, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-5-oxo-2-[[2-phenyl-4-(pyridin-3-yloxymethyl)benzoyl]amino]pentanoic acid is sourced from PubChem (CID 10574795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).