(2R)-2-[[3-(2-methylphenyl)-1,2-oxazole-5-carbonyl]amino]propanoic acid

C14H14N2O4 — CID 155569506

IUPAC(2R)-2-[[3-(2-methylphenyl)-1,2-oxazole-5-carbonyl]amino]propanoic acid
SMILESCc1ccccc1-c1cc(C(=O)N[C@H](C)C(=O)O)on1
InChIInChI=1S/C14H14N2O4/c1-8-5-3-4-6-10(8)11-7-12(20-16-11)13(17)15-9(2)14(18)19/h3-7,9H,1-2H3,(H,15,17)(H,18,19)/t9-/m1/s1
InChIKeyRIQLINKISSAKGA-SECBINFHSA-N
MW274.28 g/mol
LogP1.85
Rot. Bonds4

About (2R)-2-[[3-(2-methylphenyl)-1,2-oxazole-5-carbonyl]amino]propanoic acid

(2R)-2-[[3-(2-methylphenyl)-1,2-oxazole-5-carbonyl]amino]propanoic acid (PubChem CID 155569506) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is (2R)-2-[[3-(2-methylphenyl)-1,2-oxazole-5-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[3-(2-methylphenyl)-1,2-oxazole-5-carbonyl]amino]propanoic acid
PubChem CID155569506
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name(2R)-2-[[3-(2-methylphenyl)-1,2-oxazole-5-carbonyl]amino]propanoic acid
SMILESCc1ccccc1-c1cc(C(=O)N[C@H](C)C(=O)O)on1
InChIInChI=1S/C14H14N2O4/c1-8-5-3-4-6-10(8)11-7-12(20-16-11)13(17)15-9(2)14(18)19/h3-7,9H,1-2H3,(H,15,17)(H,18,19)/t9-/m1/s1
InChIKeyRIQLINKISSAKGA-SECBINFHSA-N
XLogP1.85
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[3-(2-methylphenyl)-1,2-oxazole-5-carbonyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[3-(2-methylphenyl)-1,2-oxazole-5-carbonyl]amino]propanoic acid (CID 155569506) is (2R)-2-[[3-(2-methylphenyl)-1,2-oxazole-5-carbonyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[3-(2-methylphenyl)-1,2-oxazole-5-carbonyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[3-(2-methylphenyl)-1,2-oxazole-5-carbonyl]amino]propanoic acid is Cc1ccccc1-c1cc(C(=O)N[C@H](C)C(=O)O)on1.
What is the InChIKey of (2R)-2-[[3-(2-methylphenyl)-1,2-oxazole-5-carbonyl]amino]propanoic acid?
The InChIKey is RIQLINKISSAKGA-SECBINFHSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-8-5-3-4-6-10(8)11-7-12(20-16-11)13(17)15-9(2)14(18)19/h3-7,9H,1-2H3,(H,15,17)(H,18,19)/t9-/m1/s1.
What are the key properties of (2R)-2-[[3-(2-methylphenyl)-1,2-oxazole-5-carbonyl]amino]propanoic acid?
(2R)-2-[[3-(2-methylphenyl)-1,2-oxazole-5-carbonyl]amino]propanoic acid has a molecular weight of 274.28 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[3-(2-methylphenyl)-1,2-oxazole-5-carbonyl]amino]propanoic acid is sourced from PubChem (CID 155569506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).