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

C8H10N2O4 — CID 83617873

IUPAC3-[[2-(1,3-oxazol-4-yl)acetyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)Cc1cocn1
InChIInChI=1S/C8H10N2O4/c11-7(9-2-1-8(12)13)3-6-4-14-5-10-6/h4-5H,1-3H2,(H,9,11)(H,12,13)
InChIKeyNKRXBKFWICHIIV-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.19
Rot. Bonds5

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

3-[[2-(1,3-oxazol-4-yl)acetyl]amino]propanoic acid (PubChem CID 83617873) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 3-[[2-(1,3-oxazol-4-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(1,3-oxazol-4-yl)acetyl]amino]propanoic acid
PubChem CID83617873
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name3-[[2-(1,3-oxazol-4-yl)acetyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)Cc1cocn1
InChIInChI=1S/C8H10N2O4/c11-7(9-2-1-8(12)13)3-6-4-14-5-10-6/h4-5H,1-3H2,(H,9,11)(H,12,13)
InChIKeyNKRXBKFWICHIIV-UHFFFAOYSA-N
XLogP-0.19
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(1,3-oxazol-4-yl)acetyl]amino]butanoic acid
CID 110836026
2-(1,3-oxazol-4-yl)-N-propylacetamide
CID 110686223
N-(3-methylbutyl)-2-(1,3-oxazol-4-yl)acetamide
CID 110686313
3-[[2-(2-methyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid
CID 110836055
N-(2-amino-2-methylpropyl)-2-(1,3-oxazol-4-yl)acetamide
CID 83617634
N-[(4-fluorophenyl)methyl]-2-(1,3-oxazol-4-yl)acetamide
CID 110686255
N-(furan-2-ylmethyl)-2-(1,3-oxazol-4-yl)acetamide
CID 110686247
3-(1,3-oxazol-4-yl)-N-pentylpropanamide
CID 110679032
3-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 119177607
3-[3-[(2-phenylacetyl)amino]propanoylamino]propanoic acid
CID 119177045
2-(3-methoxyphenyl)-N-[2-(1,3-oxazol-4-yl)ethyl]acetamide
CID 110722006
N-(4-cyanophenyl)-2-(1,3-oxazol-4-yl)acetamide
CID 110686437

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(1,3-oxazol-4-yl)acetyl]amino]propanoic acid?
The IUPAC name of 3-[[2-(1,3-oxazol-4-yl)acetyl]amino]propanoic acid (CID 83617873) is 3-[[2-(1,3-oxazol-4-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-(1,3-oxazol-4-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 3-[[2-(1,3-oxazol-4-yl)acetyl]amino]propanoic acid is O=C(O)CCNC(=O)Cc1cocn1.
What is the InChIKey of 3-[[2-(1,3-oxazol-4-yl)acetyl]amino]propanoic acid?
The InChIKey is NKRXBKFWICHIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c11-7(9-2-1-8(12)13)3-6-4-14-5-10-6/h4-5H,1-3H2,(H,9,11)(H,12,13).
What are the key properties of 3-[[2-(1,3-oxazol-4-yl)acetyl]amino]propanoic acid?
3-[[2-(1,3-oxazol-4-yl)acetyl]amino]propanoic acid has a molecular weight of 198.18 g/mol, XLogP of -0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(1,3-oxazol-4-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 83617873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).