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

C13H14N2O5 — CID 119244019

IUPAC(2R)-2-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]propanoic acid
SMILESCc1oc(-c2ccco2)nc1CC(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C13H14N2O5/c1-7(13(17)18)14-11(16)6-9-8(2)20-12(15-9)10-4-3-5-19-10/h3-5,7H,6H2,1-2H3,(H,14,16)(H,17,18)/t7-/m1/s1
InChIKeyVCOCKPKHNYOMTO-SSDOTTSWSA-N
MW278.26 g/mol
LogP1.37
Rot. Bonds5

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

(2R)-2-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]propanoic acid (PubChem CID 119244019) has the molecular formula C13H14N2O5 and a molecular weight of 278.26 g/mol. Its IUPAC name is (2R)-2-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]propanoic acid
PubChem CID119244019
Molecular FormulaC13H14N2O5
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name(2R)-2-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]propanoic acid
SMILESCc1oc(-c2ccco2)nc1CC(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C13H14N2O5/c1-7(13(17)18)14-11(16)6-9-8(2)20-12(15-9)10-4-3-5-19-10/h3-5,7H,6H2,1-2H3,(H,14,16)(H,17,18)/t7-/m1/s1
InChIKeyVCOCKPKHNYOMTO-SSDOTTSWSA-N
XLogP1.37
TPSA105.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]propanoic acid with MolForge

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Related Compounds

(2S)-2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid
CID 119238230
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-(1-hydroxy-3-phenylpropan-2-yl)acetamide
CID 109387966
3-[4-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]phenyl]-2-methylpropanoic acid
CID 120541365
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(methylamino)propyl]acetamide;dihydrochloride
CID 120830795
3-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]-methylamino]-2-methylpropanoic acid
CID 119228152
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 109388347
2-[[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]methyl]-3-(3-methylphenyl)propanoic acid
CID 119242971
2-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]-propan-2-ylamino]acetic acid
CID 119198240
3-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]propanoic acid
CID 82127717
1-[[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544803
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[[(1S,2S)-2-phenylcyclopropyl]methyl]acetamide
CID 97066559
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[3-[(1S)-1-methoxyethyl]phenyl]acetamide
CID 95321877

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]propanoic acid (CID 119244019) is (2R)-2-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]propanoic acid is Cc1oc(-c2ccco2)nc1CC(=O)N[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]propanoic acid?
The InChIKey is VCOCKPKHNYOMTO-SSDOTTSWSA-N. The full InChI is InChI=1S/C13H14N2O5/c1-7(13(17)18)14-11(16)6-9-8(2)20-12(15-9)10-4-3-5-19-10/h3-5,7H,6H2,1-2H3,(H,14,16)(H,17,18)/t7-/m1/s1.
What are the key properties of (2R)-2-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]propanoic acid?
(2R)-2-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]propanoic acid has a molecular weight of 278.26 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]propanoic acid is sourced from PubChem (CID 119244019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).