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

C15H19NO5 — CID 102945175

IUPAC(2R,5S)-5-[(4-propoxyphenyl)carbamoyl]oxolane-2-carboxylic acid
SMILESCCCOc1ccc(NC(=O)[C@@H]2CC[C@H](C(=O)O)O2)cc1
InChIInChI=1S/C15H19NO5/c1-2-9-20-11-5-3-10(4-6-11)16-14(17)12-7-8-13(21-12)15(18)19/h3-6,12-13H,2,7-9H2,1H3,(H,16,17)(H,18,19)/t12-,13+/m0/s1
InChIKeyZPUQMQXQUZSBGI-QWHCGFSZSA-N
MW293.32 g/mol
LogP2.05
Rot. Bonds6

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

(2R,5S)-5-[(4-propoxyphenyl)carbamoyl]oxolane-2-carboxylic acid (PubChem CID 102945175) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is (2R,5S)-5-[(4-propoxyphenyl)carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-[(4-propoxyphenyl)carbamoyl]oxolane-2-carboxylic acid
PubChem CID102945175
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name(2R,5S)-5-[(4-propoxyphenyl)carbamoyl]oxolane-2-carboxylic acid
SMILESCCCOc1ccc(NC(=O)[C@@H]2CC[C@H](C(=O)O)O2)cc1
InChIInChI=1S/C15H19NO5/c1-2-9-20-11-5-3-10(4-6-11)16-14(17)12-7-8-13(21-12)15(18)19/h3-6,12-13H,2,7-9H2,1H3,(H,16,17)(H,18,19)/t12-,13+/m0/s1
InChIKeyZPUQMQXQUZSBGI-QWHCGFSZSA-N
XLogP2.05
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,5S)-5-[(4-ethoxyphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944299
5-[(4-propoxyphenyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427105
(2R,5S)-5-[(3-ethoxyphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944592
(2R,5S)-5-[(4-propan-2-ylphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944341
5-[(4-methylsulfanylphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687584
(2R,5S)-5-[[4-(dimethylamino)phenyl]carbamoyl]oxolane-2-carboxylic acid
CID 102944542
5-[(4-ethoxy-3-fluorophenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688900
1-cyclopentyl-3-(4-propoxyphenyl)urea
CID 110774502
(2R,5S)-5-(pyridin-4-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102944564
N-[(4-propoxyphenyl)carbamothioyl]cyclohexanecarboxamide
CID 4943225
(2R,5S)-5-[(6-bromo-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
CID 114051447
(2R,5S)-5-[(6-chloro-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945567

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[(4-propoxyphenyl)carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-[(4-propoxyphenyl)carbamoyl]oxolane-2-carboxylic acid (CID 102945175) is (2R,5S)-5-[(4-propoxyphenyl)carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-[(4-propoxyphenyl)carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-[(4-propoxyphenyl)carbamoyl]oxolane-2-carboxylic acid is CCCOc1ccc(NC(=O)[C@@H]2CC[C@H](C(=O)O)O2)cc1.
What is the InChIKey of (2R,5S)-5-[(4-propoxyphenyl)carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is ZPUQMQXQUZSBGI-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H19NO5/c1-2-9-20-11-5-3-10(4-6-11)16-14(17)12-7-8-13(21-12)15(18)19/h3-6,12-13H,2,7-9H2,1H3,(H,16,17)(H,18,19)/t12-,13+/m0/s1.
What are the key properties of (2R,5S)-5-[(4-propoxyphenyl)carbamoyl]oxolane-2-carboxylic acid?
(2R,5S)-5-[(4-propoxyphenyl)carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[(4-propoxyphenyl)carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102945175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).