4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-4-oxobutanoic acid

C10H14N2O4 — CID 106387752

IUPAC4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-4-oxobutanoic acid
SMILESCc1cnc(C(C)NC(=O)CCC(=O)O)o1
InChIInChI=1S/C10H14N2O4/c1-6-5-11-10(16-6)7(2)12-8(13)3-4-9(14)15/h5,7H,3-4H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyBJUNPEOZFNWRCQ-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.03
Rot. Bonds5

About 4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-4-oxobutanoic acid

4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-4-oxobutanoic acid (PubChem CID 106387752) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-4-oxobutanoic acid
PubChem CID106387752
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-4-oxobutanoic acid
SMILESCc1cnc(C(C)NC(=O)CCC(=O)O)o1
InChIInChI=1S/C10H14N2O4/c1-6-5-11-10(16-6)7(2)12-8(13)3-4-9(14)15/h5,7H,3-4H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyBJUNPEOZFNWRCQ-UHFFFAOYSA-N
XLogP1.03
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]-6-oxohexanoic acid
CID 106388731
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-sulfanylacetamide
CID 106390070
5-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide
CID 106388099
3-[methyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]propanoic acid
CID 106389285
3-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-sulfanylidenepropanamide
CID 106388530
2-cyano-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]acetamide
CID 104920659
2-anilino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]acetamide
CID 106388442
4-(2-aminoethyl)-5,5-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]hexanamide
CID 106388297
2-[carboxymethyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid
CID 106389320
3-amino-3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]butanamide
CID 106388299
3-(4-aminophenoxy)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide
CID 106387462
(2R)-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]butanedioic acid
CID 106389255

Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-4-oxobutanoic acid?
The IUPAC name of 4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-4-oxobutanoic acid (CID 106387752) is 4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-4-oxobutanoic acid?
The canonical SMILES for 4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-4-oxobutanoic acid is Cc1cnc(C(C)NC(=O)CCC(=O)O)o1.
What is the InChIKey of 4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-4-oxobutanoic acid?
The InChIKey is BJUNPEOZFNWRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-6-5-11-10(16-6)7(2)12-8(13)3-4-9(14)15/h5,7H,3-4H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-4-oxobutanoic acid?
4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-4-oxobutanoic acid has a molecular weight of 226.23 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-4-oxobutanoic acid is sourced from PubChem (CID 106387752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).