4-oxo-6-[[(1R)-1-phenylethyl]carbamoyl]pyran-2-carboxylic acid

C15H13NO5 — CID 59356740

IUPAC4-oxo-6-[[(1R)-1-phenylethyl]carbamoyl]pyran-2-carboxylic acid
SMILESC[C@@H](NC(=O)c1cc(=O)cc(C(=O)O)o1)c1ccccc1
InChIInChI=1S/C15H13NO5/c1-9(10-5-3-2-4-6-10)16-14(18)12-7-11(17)8-13(21-12)15(19)20/h2-9H,1H3,(H,16,18)(H,19,20)/t9-/m1/s1
InChIKeyCQJFRGFLXSTHEH-SECBINFHSA-N
MW287.27 g/mol
LogP1.83
Rot. Bonds4

About 4-oxo-6-[[(1R)-1-phenylethyl]carbamoyl]pyran-2-carboxylic acid

4-oxo-6-[[(1R)-1-phenylethyl]carbamoyl]pyran-2-carboxylic acid (PubChem CID 59356740) has the molecular formula C15H13NO5 and a molecular weight of 287.27 g/mol. Its IUPAC name is 4-oxo-6-[[(1R)-1-phenylethyl]carbamoyl]pyran-2-carboxylic acid.

Molecular Properties

Compound Name4-oxo-6-[[(1R)-1-phenylethyl]carbamoyl]pyran-2-carboxylic acid
PubChem CID59356740
Molecular FormulaC15H13NO5
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC Name4-oxo-6-[[(1R)-1-phenylethyl]carbamoyl]pyran-2-carboxylic acid
SMILESC[C@@H](NC(=O)c1cc(=O)cc(C(=O)O)o1)c1ccccc1
InChIInChI=1S/C15H13NO5/c1-9(10-5-3-2-4-6-10)16-14(18)12-7-11(17)8-13(21-12)15(19)20/h2-9H,1H3,(H,16,18)(H,19,20)/t9-/m1/s1
InChIKeyCQJFRGFLXSTHEH-SECBINFHSA-N
XLogP1.83
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]-4-oxopyran-2-carboxylic acid
CID 59356746
2-ethyl-5-(1-phenylethylcarbamoyl)furan-3-carboxylic acid
CID 120820547
5-methyl-N-[(1S)-1-phenylethyl]furan-2-carboxamide
CID 844051
4-oxo-6-[[(1R)-1-phenylethyl]carbamoyl]-1H-pyridine-2-carboxylic acid
CID 59356747
5-amino-N-(1-phenylethyl)furan-2-carboxamide
CID 82344125
4-methyl-N-(1-phenylethyl)furan-2-carboxamide
CID 110850967
5-[[(1R)-1-(3,4-dimethylphenyl)ethyl]carbamoyl]furan-2-carboxylic acid
CID 129466583
5-(1-phenylethylcarbamoyl)benzene-1,3-dicarboxylic acid;sulfanylidenephosphane
CID 159120234
N-[(1R)-1-phenylethyl]-1,3-oxazole-5-carboxamide
CID 96586898
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(1-phenylethyl)acetamide
CID 108794915
5-(2-fluorophenyl)-N-[(1R)-1-phenylethyl]furan-2-carboxamide
CID 51427238
5-(2-chlorophenyl)-N-(1-phenylethyl)furan-2-carboxamide
CID 5262420

Frequently Asked Questions

What is the IUPAC name of 4-oxo-6-[[(1R)-1-phenylethyl]carbamoyl]pyran-2-carboxylic acid?
The IUPAC name of 4-oxo-6-[[(1R)-1-phenylethyl]carbamoyl]pyran-2-carboxylic acid (CID 59356740) is 4-oxo-6-[[(1R)-1-phenylethyl]carbamoyl]pyran-2-carboxylic acid.
What is the SMILES notation for 4-oxo-6-[[(1R)-1-phenylethyl]carbamoyl]pyran-2-carboxylic acid?
The canonical SMILES for 4-oxo-6-[[(1R)-1-phenylethyl]carbamoyl]pyran-2-carboxylic acid is C[C@@H](NC(=O)c1cc(=O)cc(C(=O)O)o1)c1ccccc1.
What is the InChIKey of 4-oxo-6-[[(1R)-1-phenylethyl]carbamoyl]pyran-2-carboxylic acid?
The InChIKey is CQJFRGFLXSTHEH-SECBINFHSA-N. The full InChI is InChI=1S/C15H13NO5/c1-9(10-5-3-2-4-6-10)16-14(18)12-7-11(17)8-13(21-12)15(19)20/h2-9H,1H3,(H,16,18)(H,19,20)/t9-/m1/s1.
What are the key properties of 4-oxo-6-[[(1R)-1-phenylethyl]carbamoyl]pyran-2-carboxylic acid?
4-oxo-6-[[(1R)-1-phenylethyl]carbamoyl]pyran-2-carboxylic acid has a molecular weight of 287.27 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-6-[[(1R)-1-phenylethyl]carbamoyl]pyran-2-carboxylic acid is sourced from PubChem (CID 59356740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).