3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]propanoic acid

C10H14N2O4 — CID 16770026

IUPAC3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]propanoic acid
SMILESCc1noc(C)c1CC(=O)NCCC(=O)O
InChIInChI=1S/C10H14N2O4/c1-6-8(7(2)16-12-6)5-9(13)11-4-3-10(14)15/h3-5H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyQQDSCNVHRQRBIF-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.42
Rot. Bonds5

About 3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]propanoic acid

3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]propanoic acid (PubChem CID 16770026) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]propanoic acid
PubChem CID16770026
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]propanoic acid
SMILESCc1noc(C)c1CC(=O)NCCC(=O)O
InChIInChI=1S/C10H14N2O4/c1-6-8(7(2)16-12-6)5-9(13)11-4-3-10(14)15/h3-5H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyQQDSCNVHRQRBIF-UHFFFAOYSA-N
XLogP0.42
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 ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-methylbutanoic acid
CID 80539351
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 111471637
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide
CID 104593398
N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 18194355
N-[2-(dimethylamino)-2-oxoethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 31337042
N-(3-amino-3-phenylpropyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 80505661
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 49356765
1-[2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]ethyl]imidazole-4-carboxylic acid
CID 107496257
N-(2,3-dihydroxy-2-methylpropyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 66168831
N-[2-(5-bromothiophen-2-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 18133754
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 107845762
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64547519

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]propanoic acid?
The IUPAC name of 3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]propanoic acid (CID 16770026) is 3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]propanoic acid is Cc1noc(C)c1CC(=O)NCCC(=O)O.
What is the InChIKey of 3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]propanoic acid?
The InChIKey is QQDSCNVHRQRBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-6-8(7(2)16-12-6)5-9(13)11-4-3-10(14)15/h3-5H2,1-2H3,(H,11,13)(H,14,15).
What are the key properties of 3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]propanoic acid?
3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]propanoic acid has a molecular weight of 226.23 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 16770026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).