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

C14H17NO5 — CID 102944592

IUPAC(2R,5S)-5-[(3-ethoxyphenyl)carbamoyl]oxolane-2-carboxylic acid
SMILESCCOc1cccc(NC(=O)[C@@H]2CC[C@H](C(=O)O)O2)c1
InChIInChI=1S/C14H17NO5/c1-2-19-10-5-3-4-9(8-10)15-13(16)11-6-7-12(20-11)14(17)18/h3-5,8,11-12H,2,6-7H2,1H3,(H,15,16)(H,17,18)/t11-,12+/m0/s1
InChIKeyJBJYRDBIYKNSLG-NWDGAFQWSA-N
MW279.29 g/mol
LogP1.66
Rot. Bonds5

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

(2R,5S)-5-[(3-ethoxyphenyl)carbamoyl]oxolane-2-carboxylic acid (PubChem CID 102944592) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is (2R,5S)-5-[(3-ethoxyphenyl)carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-[(3-ethoxyphenyl)carbamoyl]oxolane-2-carboxylic acid
PubChem CID102944592
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name(2R,5S)-5-[(3-ethoxyphenyl)carbamoyl]oxolane-2-carboxylic acid
SMILESCCOc1cccc(NC(=O)[C@@H]2CC[C@H](C(=O)O)O2)c1
InChIInChI=1S/C14H17NO5/c1-2-19-10-5-3-4-9(8-10)15-13(16)11-6-7-12(20-11)14(17)18/h3-5,8,11-12H,2,6-7H2,1H3,(H,15,16)(H,17,18)/t11-,12+/m0/s1
InChIKeyJBJYRDBIYKNSLG-NWDGAFQWSA-N
XLogP1.66
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[3-(cyanomethoxy)phenyl]carbamoyl]oxolane-2-carboxylic acid
CID 102687992
(2R,5S)-5-[(4-ethoxyphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944299
(2S,5R)-5-(aminomethyl)-N-(3-ethoxyphenyl)oxolane-2-carboxamide;hydrochloride
CID 120786061
trans-(1R,2R)-2-[(3-ethoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 41228503
5-[(4-ethoxy-3-fluorophenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688900
5-[[3-(hydroxymethyl)phenyl]carbamoyl]oxolane-2-carboxylic acid
CID 102687982
(2R,5S)-5-[(4-propoxyphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945175
1-cyclopentyl-3-(3-ethoxyphenyl)urea
CID 47264657
(2S,5R)-5-(aminomethyl)-N-[3-(2-methoxyethoxy)phenyl]oxolane-2-carboxamide
CID 120787434
(2S,5R)-5-(aminomethyl)-N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]oxolane-2-carboxamide
CID 120786558
(2S)-N-(3-ethoxyphenyl)pyrrolidine-2-carboxamide
CID 61179058
(2S,5R)-5-(aminomethyl)-N-[3-(2-methylpropoxy)phenyl]oxolane-2-carboxamide
CID 120786642

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[(3-ethoxyphenyl)carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-[(3-ethoxyphenyl)carbamoyl]oxolane-2-carboxylic acid (CID 102944592) is (2R,5S)-5-[(3-ethoxyphenyl)carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-[(3-ethoxyphenyl)carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-[(3-ethoxyphenyl)carbamoyl]oxolane-2-carboxylic acid is CCOc1cccc(NC(=O)[C@@H]2CC[C@H](C(=O)O)O2)c1.
What is the InChIKey of (2R,5S)-5-[(3-ethoxyphenyl)carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is JBJYRDBIYKNSLG-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H17NO5/c1-2-19-10-5-3-4-9(8-10)15-13(16)11-6-7-12(20-11)14(17)18/h3-5,8,11-12H,2,6-7H2,1H3,(H,15,16)(H,17,18)/t11-,12+/m0/s1.
What are the key properties of (2R,5S)-5-[(3-ethoxyphenyl)carbamoyl]oxolane-2-carboxylic acid?
(2R,5S)-5-[(3-ethoxyphenyl)carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 279.29 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[(3-ethoxyphenyl)carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102944592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).