(2R,5S)-5-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]oxolane-2-carboxylic acid

C12H16N2O5 — CID 102944535

About (2R,5S)-5-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]oxolane-2-carboxylic acid

(2R,5S)-5-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]oxolane-2-carboxylic acid (PubChem CID 102944535) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is (2R,5S)-5-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

• Compound Name: (2R,5S)-5-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]oxolane-2-carboxylic acid
• PubChem CID: 102944535
• Molecular Formula: C12H16N2O5
• Molecular Weight: 268.27 g/mol
• Exact Mass: 268.11
• IUPAC Name: (2R,5S)-5-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]oxolane-2-carboxylic acid
• SMILES: Cc1cc(CN(C)C(=O)[C@@H]2CC[C@H](C(=O)O)O2)no1
• InChI: InChI=1S/C12H16N2O5/c1-7-5-8(13-19-7)6-14(2)11(15)9-3-4-10(18-9)12(16)17/h5,9-10H,3-4,6H2,1-2H3,(H,16,17)/t9-,10+/m0/s1
• InChIKey: IVMPZJYUQHLSLS-VHSXEESVSA-N
• XLogP: 0.57
• TPSA: 92.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	268.27
LogP ≤ 5	0.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]oxolane-2-carboxylic acid?

The IUPAC name of (2R,5S)-5-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]oxolane-2-carboxylic acid (CID 102944535) is (2R,5S)-5-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]oxolane-2-carboxylic acid.

What is the SMILES notation for (2R,5S)-5-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]oxolane-2-carboxylic acid?

The canonical SMILES for (2R,5S)-5-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]oxolane-2-carboxylic acid is Cc1cc(CN(C)C(=O)[C@@H]2CC[C@H](C(=O)O)O2)no1.

What is the InChIKey of (2R,5S)-5-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]oxolane-2-carboxylic acid?

The InChIKey is IVMPZJYUQHLSLS-VHSXEESVSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-7-5-8(13-19-7)6-14(2)11(15)9-3-4-10(18-9)12(16)17/h5,9-10H,3-4,6H2,1-2H3,(H,16,17)/t9-,10+/m0/s1.

What are the key properties of (2R,5S)-5-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]oxolane-2-carboxylic acid?

(2R,5S)-5-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,5S)-5-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102944535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).