2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-hydroxybutanoic acid

C12H18N2O5 — CID 43238767

IUPAC2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-hydroxybutanoic acid
SMILESCc1noc(C)c1CCC(=O)NC(C(=O)O)C(C)O
InChIInChI=1S/C12H18N2O5/c1-6-9(8(3)19-14-6)4-5-10(16)13-11(7(2)15)12(17)18/h7,11,15H,4-5H2,1-3H3,(H,13,16)(H,17,18)
InChIKeyFJZZCZSBUONGLC-UHFFFAOYSA-N
MW270.28 g/mol
LogP0.17
Rot. Bonds6

About 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-hydroxybutanoic acid

2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-hydroxybutanoic acid (PubChem CID 43238767) has the molecular formula C12H18N2O5 and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-hydroxybutanoic acid
PubChem CID43238767
Molecular FormulaC12H18N2O5
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-hydroxybutanoic acid
SMILESCc1noc(C)c1CCC(=O)NC(C(=O)O)C(C)O
InChIInChI=1S/C12H18N2O5/c1-6-9(8(3)19-14-6)4-5-10(16)13-11(7(2)15)12(17)18/h7,11,15H,4-5H2,1-3H3,(H,13,16)(H,17,18)
InChIKeyFJZZCZSBUONGLC-UHFFFAOYSA-N
XLogP0.17
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-hydroxybutanoic acid?
The IUPAC name of 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-hydroxybutanoic acid (CID 43238767) is 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-hydroxybutanoic acid.
What is the SMILES notation for 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-hydroxybutanoic acid?
The canonical SMILES for 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-hydroxybutanoic acid is Cc1noc(C)c1CCC(=O)NC(C(=O)O)C(C)O.
What is the InChIKey of 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-hydroxybutanoic acid?
The InChIKey is FJZZCZSBUONGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5/c1-6-9(8(3)19-14-6)4-5-10(16)13-11(7(2)15)12(17)18/h7,11,15H,4-5H2,1-3H3,(H,13,16)(H,17,18).
What are the key properties of 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-hydroxybutanoic acid?
2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-hydroxybutanoic acid has a molecular weight of 270.28 g/mol, XLogP of 0.17, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-hydroxybutanoic acid is sourced from PubChem (CID 43238767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).