2-amino-5-(3-ethyl-1,2-oxazol-5-yl)-3,4-dihydroxypentanoic acid

C10H16N2O5 — CID 71094579

IUPAC2-amino-5-(3-ethyl-1,2-oxazol-5-yl)-3,4-dihydroxypentanoic acid
SMILESCCc1cc(CC(O)C(O)C(N)C(=O)O)on1
InChIInChI=1S/C10H16N2O5/c1-2-5-3-6(17-12-5)4-7(13)9(14)8(11)10(15)16/h3,7-9,13-14H,2,4,11H2,1H3,(H,15,16)
InChIKeyBOZJQRUASTXIKU-UHFFFAOYSA-N
MW244.25 g/mol
LogP-1.09
Rot. Bonds6

About 2-amino-5-(3-ethyl-1,2-oxazol-5-yl)-3,4-dihydroxypentanoic acid

2-amino-5-(3-ethyl-1,2-oxazol-5-yl)-3,4-dihydroxypentanoic acid (PubChem CID 71094579) has the molecular formula C10H16N2O5 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-amino-5-(3-ethyl-1,2-oxazol-5-yl)-3,4-dihydroxypentanoic acid.

Molecular Properties

Compound Name2-amino-5-(3-ethyl-1,2-oxazol-5-yl)-3,4-dihydroxypentanoic acid
PubChem CID71094579
Molecular FormulaC10H16N2O5
Molecular Weight244.25 g/mol
Exact Mass244.11
IUPAC Name2-amino-5-(3-ethyl-1,2-oxazol-5-yl)-3,4-dihydroxypentanoic acid
SMILESCCc1cc(CC(O)C(O)C(N)C(=O)O)on1
InChIInChI=1S/C10H16N2O5/c1-2-5-3-6(17-12-5)4-7(13)9(14)8(11)10(15)16/h3,7-9,13-14H,2,4,11H2,1H3,(H,15,16)
InChIKeyBOZJQRUASTXIKU-UHFFFAOYSA-N
XLogP-1.09
TPSA129.81 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-1.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3-ethyl-1,2-oxazol-5-yl)-3,4-dihydroxypentanoic acid?
The IUPAC name of 2-amino-5-(3-ethyl-1,2-oxazol-5-yl)-3,4-dihydroxypentanoic acid (CID 71094579) is 2-amino-5-(3-ethyl-1,2-oxazol-5-yl)-3,4-dihydroxypentanoic acid.
What is the SMILES notation for 2-amino-5-(3-ethyl-1,2-oxazol-5-yl)-3,4-dihydroxypentanoic acid?
The canonical SMILES for 2-amino-5-(3-ethyl-1,2-oxazol-5-yl)-3,4-dihydroxypentanoic acid is CCc1cc(CC(O)C(O)C(N)C(=O)O)on1.
What is the InChIKey of 2-amino-5-(3-ethyl-1,2-oxazol-5-yl)-3,4-dihydroxypentanoic acid?
The InChIKey is BOZJQRUASTXIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5/c1-2-5-3-6(17-12-5)4-7(13)9(14)8(11)10(15)16/h3,7-9,13-14H,2,4,11H2,1H3,(H,15,16).
What are the key properties of 2-amino-5-(3-ethyl-1,2-oxazol-5-yl)-3,4-dihydroxypentanoic acid?
2-amino-5-(3-ethyl-1,2-oxazol-5-yl)-3,4-dihydroxypentanoic acid has a molecular weight of 244.25 g/mol, XLogP of -1.09, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3-ethyl-1,2-oxazol-5-yl)-3,4-dihydroxypentanoic acid is sourced from PubChem (CID 71094579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).