(4S)-5-amino-5-oxo-4-[3-(3-phenyl-1,2-oxazol-5-yl)propanoylamino]pentanoic acid

C17H19N3O5 — CID 50991766

IUPAC(4S)-5-amino-5-oxo-4-[3-(3-phenyl-1,2-oxazol-5-yl)propanoylamino]pentanoic acid
SMILESNC(=O)[C@H](CCC(=O)O)NC(=O)CCc1cc(-c2ccccc2)no1
InChIInChI=1S/C17H19N3O5/c18-17(24)13(7-9-16(22)23)19-15(21)8-6-12-10-14(20-25-12)11-4-2-1-3-5-11/h1-5,10,13H,6-9H2,(H2,18,24)(H,19,21)(H,22,23)/t13-/m0/s1
InChIKeyHCTHWCGSCVVHLJ-ZDUSSCGKSA-N
MW345.36 g/mol
LogP1.11
Rot. Bonds9

About (4S)-5-amino-5-oxo-4-[3-(3-phenyl-1,2-oxazol-5-yl)propanoylamino]pentanoic acid

(4S)-5-amino-5-oxo-4-[3-(3-phenyl-1,2-oxazol-5-yl)propanoylamino]pentanoic acid (PubChem CID 50991766) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is (4S)-5-amino-5-oxo-4-[3-(3-phenyl-1,2-oxazol-5-yl)propanoylamino]pentanoic acid.

Molecular Properties

Compound Name(4S)-5-amino-5-oxo-4-[3-(3-phenyl-1,2-oxazol-5-yl)propanoylamino]pentanoic acid
PubChem CID50991766
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Name(4S)-5-amino-5-oxo-4-[3-(3-phenyl-1,2-oxazol-5-yl)propanoylamino]pentanoic acid
SMILESNC(=O)[C@H](CCC(=O)O)NC(=O)CCc1cc(-c2ccccc2)no1
InChIInChI=1S/C17H19N3O5/c18-17(24)13(7-9-16(22)23)19-15(21)8-6-12-10-14(20-25-12)11-4-2-1-3-5-11/h1-5,10,13H,6-9H2,(H2,18,24)(H,19,21)(H,22,23)/t13-/m0/s1
InChIKeyHCTHWCGSCVVHLJ-ZDUSSCGKSA-N
XLogP1.11
TPSA135.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-5-amino-5-oxo-4-[3-(3-phenyl-1,2-oxazol-5-yl)propanoylamino]pentanoic acid?
The IUPAC name of (4S)-5-amino-5-oxo-4-[3-(3-phenyl-1,2-oxazol-5-yl)propanoylamino]pentanoic acid (CID 50991766) is (4S)-5-amino-5-oxo-4-[3-(3-phenyl-1,2-oxazol-5-yl)propanoylamino]pentanoic acid.
What is the SMILES notation for (4S)-5-amino-5-oxo-4-[3-(3-phenyl-1,2-oxazol-5-yl)propanoylamino]pentanoic acid?
The canonical SMILES for (4S)-5-amino-5-oxo-4-[3-(3-phenyl-1,2-oxazol-5-yl)propanoylamino]pentanoic acid is NC(=O)[C@H](CCC(=O)O)NC(=O)CCc1cc(-c2ccccc2)no1.
What is the InChIKey of (4S)-5-amino-5-oxo-4-[3-(3-phenyl-1,2-oxazol-5-yl)propanoylamino]pentanoic acid?
The InChIKey is HCTHWCGSCVVHLJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19N3O5/c18-17(24)13(7-9-16(22)23)19-15(21)8-6-12-10-14(20-25-12)11-4-2-1-3-5-11/h1-5,10,13H,6-9H2,(H2,18,24)(H,19,21)(H,22,23)/t13-/m0/s1.
What are the key properties of (4S)-5-amino-5-oxo-4-[3-(3-phenyl-1,2-oxazol-5-yl)propanoylamino]pentanoic acid?
(4S)-5-amino-5-oxo-4-[3-(3-phenyl-1,2-oxazol-5-yl)propanoylamino]pentanoic acid has a molecular weight of 345.36 g/mol, XLogP of 1.11, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-amino-5-oxo-4-[3-(3-phenyl-1,2-oxazol-5-yl)propanoylamino]pentanoic acid is sourced from PubChem (CID 50991766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).