(2S)-2-amino-5-oxo-5-[2-(5-oxo-1,2-oxazol-2-yl)ethylamino]pentanoic acid

C10H15N3O5 — CID 15167930

IUPAC(2S)-2-amino-5-oxo-5-[2-(5-oxo-1,2-oxazol-2-yl)ethylamino]pentanoic acid
SMILESN[C@@H](CCC(=O)NCCn1ccc(=O)o1)C(=O)O
InChIInChI=1S/C10H15N3O5/c11-7(10(16)17)1-2-8(14)12-4-6-13-5-3-9(15)18-13/h3,5,7H,1-2,4,6,11H2,(H,12,14)(H,16,17)/t7-/m0/s1
InChIKeyBGNZXEOTZCJZNF-ZETCQYMHSA-N
MW257.25 g/mol
LogP-1.25
Rot. Bonds7

About (2S)-2-amino-5-oxo-5-[2-(5-oxo-1,2-oxazol-2-yl)ethylamino]pentanoic acid

(2S)-2-amino-5-oxo-5-[2-(5-oxo-1,2-oxazol-2-yl)ethylamino]pentanoic acid (PubChem CID 15167930) has the molecular formula C10H15N3O5 and a molecular weight of 257.25 g/mol. Its IUPAC name is (2S)-2-amino-5-oxo-5-[2-(5-oxo-1,2-oxazol-2-yl)ethylamino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-oxo-5-[2-(5-oxo-1,2-oxazol-2-yl)ethylamino]pentanoic acid
PubChem CID15167930
Molecular FormulaC10H15N3O5
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name(2S)-2-amino-5-oxo-5-[2-(5-oxo-1,2-oxazol-2-yl)ethylamino]pentanoic acid
SMILESN[C@@H](CCC(=O)NCCn1ccc(=O)o1)C(=O)O
InChIInChI=1S/C10H15N3O5/c11-7(10(16)17)1-2-8(14)12-4-6-13-5-3-9(15)18-13/h3,5,7H,1-2,4,6,11H2,(H,12,14)(H,16,17)/t7-/m0/s1
InChIKeyBGNZXEOTZCJZNF-ZETCQYMHSA-N
XLogP-1.25
TPSA127.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-oxo-5-[2-(5-oxo-1,2-oxazol-2-yl)ethylamino]pentanoic acid?
The IUPAC name of (2S)-2-amino-5-oxo-5-[2-(5-oxo-1,2-oxazol-2-yl)ethylamino]pentanoic acid (CID 15167930) is (2S)-2-amino-5-oxo-5-[2-(5-oxo-1,2-oxazol-2-yl)ethylamino]pentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-oxo-5-[2-(5-oxo-1,2-oxazol-2-yl)ethylamino]pentanoic acid?
The canonical SMILES for (2S)-2-amino-5-oxo-5-[2-(5-oxo-1,2-oxazol-2-yl)ethylamino]pentanoic acid is N[C@@H](CCC(=O)NCCn1ccc(=O)o1)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-oxo-5-[2-(5-oxo-1,2-oxazol-2-yl)ethylamino]pentanoic acid?
The InChIKey is BGNZXEOTZCJZNF-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H15N3O5/c11-7(10(16)17)1-2-8(14)12-4-6-13-5-3-9(15)18-13/h3,5,7H,1-2,4,6,11H2,(H,12,14)(H,16,17)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-5-oxo-5-[2-(5-oxo-1,2-oxazol-2-yl)ethylamino]pentanoic acid?
(2S)-2-amino-5-oxo-5-[2-(5-oxo-1,2-oxazol-2-yl)ethylamino]pentanoic acid has a molecular weight of 257.25 g/mol, XLogP of -1.25, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-oxo-5-[2-(5-oxo-1,2-oxazol-2-yl)ethylamino]pentanoic acid is sourced from PubChem (CID 15167930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).