(2R,5S)-5-[(4-propan-2-ylphenyl)carbamoyl]oxolane-2-carboxylic acid

C15H19NO4 — CID 102944341

IUPAC(2R,5S)-5-[(4-propan-2-ylphenyl)carbamoyl]oxolane-2-carboxylic acid
SMILESCC(C)c1ccc(NC(=O)[C@@H]2CC[C@H](C(=O)O)O2)cc1
InChIInChI=1S/C15H19NO4/c1-9(2)10-3-5-11(6-4-10)16-14(17)12-7-8-13(20-12)15(18)19/h3-6,9,12-13H,7-8H2,1-2H3,(H,16,17)(H,18,19)/t12-,13+/m0/s1
InChIKeySLJKCNCOMGOHQR-QWHCGFSZSA-N
MW277.32 g/mol
LogP2.38
Rot. Bonds4

About (2R,5S)-5-[(4-propan-2-ylphenyl)carbamoyl]oxolane-2-carboxylic acid

(2R,5S)-5-[(4-propan-2-ylphenyl)carbamoyl]oxolane-2-carboxylic acid (PubChem CID 102944341) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is (2R,5S)-5-[(4-propan-2-ylphenyl)carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-[(4-propan-2-ylphenyl)carbamoyl]oxolane-2-carboxylic acid
PubChem CID102944341
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name(2R,5S)-5-[(4-propan-2-ylphenyl)carbamoyl]oxolane-2-carboxylic acid
SMILESCC(C)c1ccc(NC(=O)[C@@H]2CC[C@H](C(=O)O)O2)cc1
InChIInChI=1S/C15H19NO4/c1-9(2)10-3-5-11(6-4-10)16-14(17)12-7-8-13(20-12)15(18)19/h3-6,9,12-13H,7-8H2,1-2H3,(H,16,17)(H,18,19)/t12-,13+/m0/s1
InChIKeySLJKCNCOMGOHQR-QWHCGFSZSA-N
XLogP2.38
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-(4-propan-2-ylphenyl)oxolane-2-carboxamide;hydrochloride
CID 120782887
5-[(4-methylsulfanylphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687584
(2R,5S)-5-[[4-(dimethylamino)phenyl]carbamoyl]oxolane-2-carboxylic acid
CID 102944542
(2R,5S)-5-(pyridin-4-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102944564
(2R,5S)-5-[(4-ethoxyphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944299
ethane;N-(4-propan-2-ylphenyl)cyclopropanecarboxamide
CID 143709659
(2R,5S)-5-[(6-chloro-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945567
N-(4-propan-2-ylphenyl)cyclohexanecarboxamide
CID 849011
(2R,5S)-5-[(4-propoxyphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945175
(2R,5S)-5-[(3,5-dimethylphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944368
3,4-dimethyl-6-[(4-propan-2-ylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 3561187
(2R,5S)-5-[(6-bromo-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
CID 114051447

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[(4-propan-2-ylphenyl)carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-[(4-propan-2-ylphenyl)carbamoyl]oxolane-2-carboxylic acid (CID 102944341) is (2R,5S)-5-[(4-propan-2-ylphenyl)carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-[(4-propan-2-ylphenyl)carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-[(4-propan-2-ylphenyl)carbamoyl]oxolane-2-carboxylic acid is CC(C)c1ccc(NC(=O)[C@@H]2CC[C@H](C(=O)O)O2)cc1.
What is the InChIKey of (2R,5S)-5-[(4-propan-2-ylphenyl)carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is SLJKCNCOMGOHQR-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H19NO4/c1-9(2)10-3-5-11(6-4-10)16-14(17)12-7-8-13(20-12)15(18)19/h3-6,9,12-13H,7-8H2,1-2H3,(H,16,17)(H,18,19)/t12-,13+/m0/s1.
What are the key properties of (2R,5S)-5-[(4-propan-2-ylphenyl)carbamoyl]oxolane-2-carboxylic acid?
(2R,5S)-5-[(4-propan-2-ylphenyl)carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[(4-propan-2-ylphenyl)carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102944341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).