(2S)-2-amino-5-oxo-5-(4-phenacyloxyanilino)pentanoic acid

C19H20N2O5 — CID 24901621

IUPAC(2S)-2-amino-5-oxo-5-(4-phenacyloxyanilino)pentanoic acid
SMILESN[C@@H](CCC(=O)Nc1ccc(OCC(=O)c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C19H20N2O5/c20-16(19(24)25)10-11-18(23)21-14-6-8-15(9-7-14)26-12-17(22)13-4-2-1-3-5-13/h1-9,16H,10-12,20H2,(H,21,23)(H,24,25)/t16-/m0/s1
InChIKeyJXSYVANIFASLIX-INIZCTEOSA-N
MW356.38 g/mol
LogP2.08
Rot. Bonds9

About (2S)-2-amino-5-oxo-5-(4-phenacyloxyanilino)pentanoic acid

(2S)-2-amino-5-oxo-5-(4-phenacyloxyanilino)pentanoic acid (PubChem CID 24901621) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is (2S)-2-amino-5-oxo-5-(4-phenacyloxyanilino)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-oxo-5-(4-phenacyloxyanilino)pentanoic acid
PubChem CID24901621
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name(2S)-2-amino-5-oxo-5-(4-phenacyloxyanilino)pentanoic acid
SMILESN[C@@H](CCC(=O)Nc1ccc(OCC(=O)c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C19H20N2O5/c20-16(19(24)25)10-11-18(23)21-14-6-8-15(9-7-14)26-12-17(22)13-4-2-1-3-5-13/h1-9,16H,10-12,20H2,(H,21,23)(H,24,25)/t16-/m0/s1
InChIKeyJXSYVANIFASLIX-INIZCTEOSA-N
XLogP2.08
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-oxo-5-(4-phenacyloxyanilino)pentanoic acid?
The IUPAC name of (2S)-2-amino-5-oxo-5-(4-phenacyloxyanilino)pentanoic acid (CID 24901621) is (2S)-2-amino-5-oxo-5-(4-phenacyloxyanilino)pentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-oxo-5-(4-phenacyloxyanilino)pentanoic acid?
The canonical SMILES for (2S)-2-amino-5-oxo-5-(4-phenacyloxyanilino)pentanoic acid is N[C@@H](CCC(=O)Nc1ccc(OCC(=O)c2ccccc2)cc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-oxo-5-(4-phenacyloxyanilino)pentanoic acid?
The InChIKey is JXSYVANIFASLIX-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20N2O5/c20-16(19(24)25)10-11-18(23)21-14-6-8-15(9-7-14)26-12-17(22)13-4-2-1-3-5-13/h1-9,16H,10-12,20H2,(H,21,23)(H,24,25)/t16-/m0/s1.
What are the key properties of (2S)-2-amino-5-oxo-5-(4-phenacyloxyanilino)pentanoic acid?
(2S)-2-amino-5-oxo-5-(4-phenacyloxyanilino)pentanoic acid has a molecular weight of 356.38 g/mol, XLogP of 2.08, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-oxo-5-(4-phenacyloxyanilino)pentanoic acid is sourced from PubChem (CID 24901621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).