2-amino-3-(5-butyl-3-oxo-1,2-oxazol-4-yl)propanoic acid

C10H16N2O4 — CID 10489524

IUPAC2-amino-3-(5-butyl-3-oxo-1,2-oxazol-4-yl)propanoic acid
SMILESCCCCc1o[nH]c(=O)c1CC(N)C(=O)O
InChIInChI=1S/C10H16N2O4/c1-2-3-4-8-6(9(13)12-16-8)5-7(11)10(14)15/h7H,2-5,11H2,1H3,(H,12,13)(H,14,15)
InChIKeyBHLLBRLRDRZYJZ-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.26
Rot. Bonds6

About 2-amino-3-(5-butyl-3-oxo-1,2-oxazol-4-yl)propanoic acid

2-amino-3-(5-butyl-3-oxo-1,2-oxazol-4-yl)propanoic acid (PubChem CID 10489524) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-amino-3-(5-butyl-3-oxo-1,2-oxazol-4-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(5-butyl-3-oxo-1,2-oxazol-4-yl)propanoic acid
PubChem CID10489524
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name2-amino-3-(5-butyl-3-oxo-1,2-oxazol-4-yl)propanoic acid
SMILESCCCCc1o[nH]c(=O)c1CC(N)C(=O)O
InChIInChI=1S/C10H16N2O4/c1-2-3-4-8-6(9(13)12-16-8)5-7(11)10(14)15/h7H,2-5,11H2,1H3,(H,12,13)(H,14,15)
InChIKeyBHLLBRLRDRZYJZ-UHFFFAOYSA-N
XLogP0.26
TPSA109.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-3-(4-butyl-3-oxo-1,2-oxazol-5-yl)propanoic acid
CID 10036720
(2S)-2-amino-3-(5-methyl-3-oxo-1,2-oxazol-4-yl)propanoic acid;hydrochloride
CID 172652677
2-amino-3-(5-methyl-3-oxo-1,2-oxazol-4-yl)propanoic acid;hydrate
CID 53393722
2-amino-3-[3-oxo-5-(1-propyltetrazol-5-yl)-1,2-oxazol-4-yl]propanoic acid
CID 11460225
(2S)-2-amino-3-(3-oxo-4-phenyl-1,2-oxazol-5-yl)propanoic acid
CID 10332242
(2R)-2-amino-3-(2,6-dimethylphenyl)propanoic acid;hydrochloride
CID 154728811
2-amino-3-(4-heptylphenyl)propanoic acid
CID 170879327
2-amino-3-(pentyldisulfanyl)propanoic acid
CID 3298047
(2S)-2-aminohexanoic acid;dihydrochloride
CID 142770522
2-amino-3-(2,3,6-trimethylphenyl)propanoic acid
CID 122505443
4-[(2S)-2-amino-2-carboxyethyl]-2-ethyl-3-oxo-1,2-oxazole-5-carboxylic acid
CID 70009205
2-[5-(aminomethyl)-3-oxo-1,2-oxazol-4-yl]propanoic acid;hydrobromide
CID 70019732

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(5-butyl-3-oxo-1,2-oxazol-4-yl)propanoic acid?
The IUPAC name of 2-amino-3-(5-butyl-3-oxo-1,2-oxazol-4-yl)propanoic acid (CID 10489524) is 2-amino-3-(5-butyl-3-oxo-1,2-oxazol-4-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(5-butyl-3-oxo-1,2-oxazol-4-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(5-butyl-3-oxo-1,2-oxazol-4-yl)propanoic acid is CCCCc1o[nH]c(=O)c1CC(N)C(=O)O.
What is the InChIKey of 2-amino-3-(5-butyl-3-oxo-1,2-oxazol-4-yl)propanoic acid?
The InChIKey is BHLLBRLRDRZYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-2-3-4-8-6(9(13)12-16-8)5-7(11)10(14)15/h7H,2-5,11H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-amino-3-(5-butyl-3-oxo-1,2-oxazol-4-yl)propanoic acid?
2-amino-3-(5-butyl-3-oxo-1,2-oxazol-4-yl)propanoic acid has a molecular weight of 228.25 g/mol, XLogP of 0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(5-butyl-3-oxo-1,2-oxazol-4-yl)propanoic acid is sourced from PubChem (CID 10489524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).