(2R,5S)-5-[(3,5-dimethylphenyl)carbamoyl]oxolane-2-carboxylic acid

C14H17NO4 — CID 102944368

IUPAC(2R,5S)-5-[(3,5-dimethylphenyl)carbamoyl]oxolane-2-carboxylic acid
SMILESCc1cc(C)cc(NC(=O)[C@@H]2CC[C@H](C(=O)O)O2)c1
InChIInChI=1S/C14H17NO4/c1-8-5-9(2)7-10(6-8)15-13(16)11-3-4-12(19-11)14(17)18/h5-7,11-12H,3-4H2,1-2H3,(H,15,16)(H,17,18)/t11-,12+/m0/s1
InChIKeyGUPDDHSOVCHZDK-NWDGAFQWSA-N
MW263.29 g/mol
LogP1.87
Rot. Bonds3

About (2R,5S)-5-[(3,5-dimethylphenyl)carbamoyl]oxolane-2-carboxylic acid

(2R,5S)-5-[(3,5-dimethylphenyl)carbamoyl]oxolane-2-carboxylic acid (PubChem CID 102944368) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is (2R,5S)-5-[(3,5-dimethylphenyl)carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-[(3,5-dimethylphenyl)carbamoyl]oxolane-2-carboxylic acid
PubChem CID102944368
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name(2R,5S)-5-[(3,5-dimethylphenyl)carbamoyl]oxolane-2-carboxylic acid
SMILESCc1cc(C)cc(NC(=O)[C@@H]2CC[C@H](C(=O)O)O2)c1
InChIInChI=1S/C14H17NO4/c1-8-5-9(2)7-10(6-8)15-13(16)11-3-4-12(19-11)14(17)18/h5-7,11-12H,3-4H2,1-2H3,(H,15,16)(H,17,18)/t11-,12+/m0/s1
InChIKeyGUPDDHSOVCHZDK-NWDGAFQWSA-N
XLogP1.87
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(5-methyl-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
CID 107584585
(2R,5S)-5-[(3,5-dichloro-4-hydroxyphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 107677682
5-[(3-methyl-4-nitrophenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688379
(2S)-N-(3,5-dimethylphenyl)oxolane-2-carboxamide
CID 7923565
(2R,5S)-5-(pyridin-4-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102944564
5-[(4-methylsulfanylphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687584
(2R,5S)-5-[(4-propan-2-ylphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944341
(2R,5S)-5-[[4-(dimethylamino)phenyl]carbamoyl]oxolane-2-carboxylic acid
CID 102944542
(2R,5S)-5-[(3-bromo-4-methoxyphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945371
(2R,5S)-5-[(4-bromo-3-methoxyphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945585
(2R,5S)-5-[(6-bromo-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
CID 114051447
5-(pyrimidin-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102688798

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[(3,5-dimethylphenyl)carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-[(3,5-dimethylphenyl)carbamoyl]oxolane-2-carboxylic acid (CID 102944368) is (2R,5S)-5-[(3,5-dimethylphenyl)carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-[(3,5-dimethylphenyl)carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-[(3,5-dimethylphenyl)carbamoyl]oxolane-2-carboxylic acid is Cc1cc(C)cc(NC(=O)[C@@H]2CC[C@H](C(=O)O)O2)c1.
What is the InChIKey of (2R,5S)-5-[(3,5-dimethylphenyl)carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is GUPDDHSOVCHZDK-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H17NO4/c1-8-5-9(2)7-10(6-8)15-13(16)11-3-4-12(19-11)14(17)18/h5-7,11-12H,3-4H2,1-2H3,(H,15,16)(H,17,18)/t11-,12+/m0/s1.
What are the key properties of (2R,5S)-5-[(3,5-dimethylphenyl)carbamoyl]oxolane-2-carboxylic acid?
(2R,5S)-5-[(3,5-dimethylphenyl)carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 263.29 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[(3,5-dimethylphenyl)carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102944368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).