5-[[(2S)-1-(naphthalen-2-ylamino)-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid

C24H24N2O4 — CID 7019934

IUPAC5-[[(2S)-1-(naphthalen-2-ylamino)-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C24H24N2O4/c27-22(11-6-12-23(28)29)26-21(15-17-7-2-1-3-8-17)24(30)25-20-14-13-18-9-4-5-10-19(18)16-20/h1-5,7-10,13-14,16,21H,6,11-12,15H2,(H,25,30)(H,26,27)(H,28,29)/t21-/m0/s1
InChIKeyUNBPEIBIPPJZIR-NRFANRHFSA-N
MW404.47 g/mol
LogP3.76
Rot. Bonds9

About 5-[[(2S)-1-(naphthalen-2-ylamino)-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid

5-[[(2S)-1-(naphthalen-2-ylamino)-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid (PubChem CID 7019934) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is 5-[[(2S)-1-(naphthalen-2-ylamino)-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[(2S)-1-(naphthalen-2-ylamino)-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid
PubChem CID7019934
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name5-[[(2S)-1-(naphthalen-2-ylamino)-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C24H24N2O4/c27-22(11-6-12-23(28)29)26-21(15-17-7-2-1-3-8-17)24(30)25-20-14-13-18-9-4-5-10-19(18)16-20/h1-5,7-10,13-14,16,21H,6,11-12,15H2,(H,25,30)(H,26,27)(H,28,29)/t21-/m0/s1
InChIKeyUNBPEIBIPPJZIR-NRFANRHFSA-N
XLogP3.76
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-1-(naphthalen-2-ylamino)-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-[[(2S)-1-(naphthalen-2-ylamino)-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid (CID 7019934) is 5-[[(2S)-1-(naphthalen-2-ylamino)-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[[(2S)-1-(naphthalen-2-ylamino)-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[[(2S)-1-(naphthalen-2-ylamino)-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid is O=C(O)CCCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of 5-[[(2S)-1-(naphthalen-2-ylamino)-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid?
The InChIKey is UNBPEIBIPPJZIR-NRFANRHFSA-N. The full InChI is InChI=1S/C24H24N2O4/c27-22(11-6-12-23(28)29)26-21(15-17-7-2-1-3-8-17)24(30)25-20-14-13-18-9-4-5-10-19(18)16-20/h1-5,7-10,13-14,16,21H,6,11-12,15H2,(H,25,30)(H,26,27)(H,28,29)/t21-/m0/s1.
What are the key properties of 5-[[(2S)-1-(naphthalen-2-ylamino)-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid?
5-[[(2S)-1-(naphthalen-2-ylamino)-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid has a molecular weight of 404.47 g/mol, XLogP of 3.76, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-1-(naphthalen-2-ylamino)-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 7019934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).