5-[[(1S)-1-(4-methoxyphenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid

C15H19NO5 — CID 102688760

IUPAC5-[[(1S)-1-(4-methoxyphenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid
SMILESCOc1ccc([C@H](C)NC(=O)C2CCC(C(=O)O)O2)cc1
InChIInChI=1S/C15H19NO5/c1-9(10-3-5-11(20-2)6-4-10)16-14(17)12-7-8-13(21-12)15(18)19/h3-6,9,12-13H,7-8H2,1-2H3,(H,16,17)(H,18,19)/t9-,12?,13?/m0/s1
InChIKeyJKDVWGDGNGXKTL-ALXWSUNGSA-N
MW293.32 g/mol
LogP1.50
Rot. Bonds5

About 5-[[(1S)-1-(4-methoxyphenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid

5-[[(1S)-1-(4-methoxyphenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid (PubChem CID 102688760) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 5-[[(1S)-1-(4-methoxyphenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(1S)-1-(4-methoxyphenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid
PubChem CID102688760
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name5-[[(1S)-1-(4-methoxyphenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid
SMILESCOc1ccc([C@H](C)NC(=O)C2CCC(C(=O)O)O2)cc1
InChIInChI=1S/C15H19NO5/c1-9(10-3-5-11(20-2)6-4-10)16-14(17)12-7-8-13(21-12)15(18)19/h3-6,9,12-13H,7-8H2,1-2H3,(H,16,17)(H,18,19)/t9-,12?,13?/m0/s1
InChIKeyJKDVWGDGNGXKTL-ALXWSUNGSA-N
XLogP1.50
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,5S)-5-[[(1S)-1-(3-methoxyphenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid
CID 102945502
5-[[(1R)-1-(3-methoxyphenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid
CID 102688768
(2R,5S)-5-[1-(4-methylphenyl)ethylcarbamoyl]oxolane-2-carboxylic acid
CID 102944580
(2R,5S)-5-[[(1S)-1-(4-fluorophenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid
CID 102945486
5-(aminomethyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]oxolane-2-carboxamide
CID 81363772
(1S,2S,3S,4R)-3-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 11921975
2-[[(1S)-1-(4-methoxyphenyl)ethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103979010
6-[1-(4-methoxyphenyl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 17262888
trans-(1S,2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 27450158
(3S)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 94016009
(2R,5S)-5-[1-(2-methylphenyl)ethylcarbamoyl]oxolane-2-carboxylic acid
CID 102944480
5-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]oxolane-2-carboxylic acid
CID 102688785

Frequently Asked Questions

What is the IUPAC name of 5-[[(1S)-1-(4-methoxyphenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[[(1S)-1-(4-methoxyphenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid (CID 102688760) is 5-[[(1S)-1-(4-methoxyphenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[[(1S)-1-(4-methoxyphenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[[(1S)-1-(4-methoxyphenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid is COc1ccc([C@H](C)NC(=O)C2CCC(C(=O)O)O2)cc1.
What is the InChIKey of 5-[[(1S)-1-(4-methoxyphenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is JKDVWGDGNGXKTL-ALXWSUNGSA-N. The full InChI is InChI=1S/C15H19NO5/c1-9(10-3-5-11(20-2)6-4-10)16-14(17)12-7-8-13(21-12)15(18)19/h3-6,9,12-13H,7-8H2,1-2H3,(H,16,17)(H,18,19)/t9-,12?,13?/m0/s1.
What are the key properties of 5-[[(1S)-1-(4-methoxyphenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid?
5-[[(1S)-1-(4-methoxyphenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S)-1-(4-methoxyphenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102688760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).