(2R,5S)-5-[1-(4-methylphenyl)ethylcarbamoyl]oxolane-2-carboxylic acid

C15H19NO4 — CID 102944580

IUPAC(2R,5S)-5-[1-(4-methylphenyl)ethylcarbamoyl]oxolane-2-carboxylic acid
SMILESCc1ccc(C(C)NC(=O)[C@@H]2CC[C@H](C(=O)O)O2)cc1
InChIInChI=1S/C15H19NO4/c1-9-3-5-11(6-4-9)10(2)16-14(17)12-7-8-13(20-12)15(18)19/h3-6,10,12-13H,7-8H2,1-2H3,(H,16,17)(H,18,19)/t10?,12-,13+/m0/s1
InChIKeyOMXPOQHXMIBIEP-HEVMSJOKSA-N
MW277.32 g/mol
LogP1.80
Rot. Bonds4

About (2R,5S)-5-[1-(4-methylphenyl)ethylcarbamoyl]oxolane-2-carboxylic acid

(2R,5S)-5-[1-(4-methylphenyl)ethylcarbamoyl]oxolane-2-carboxylic acid (PubChem CID 102944580) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is (2R,5S)-5-[1-(4-methylphenyl)ethylcarbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-[1-(4-methylphenyl)ethylcarbamoyl]oxolane-2-carboxylic acid
PubChem CID102944580
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name(2R,5S)-5-[1-(4-methylphenyl)ethylcarbamoyl]oxolane-2-carboxylic acid
SMILESCc1ccc(C(C)NC(=O)[C@@H]2CC[C@H](C(=O)O)O2)cc1
InChIInChI=1S/C15H19NO4/c1-9-3-5-11(6-4-9)10(2)16-14(17)12-7-8-13(20-12)15(18)19/h3-6,10,12-13H,7-8H2,1-2H3,(H,16,17)(H,18,19)/t10?,12-,13+/m0/s1
InChIKeyOMXPOQHXMIBIEP-HEVMSJOKSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,5S)-5-[[(1S)-1-(4-fluorophenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid
CID 102945486
5-[[(1S)-1-(4-methoxyphenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid
CID 102688760
(2R,5S)-5-[1-(2-methylphenyl)ethylcarbamoyl]oxolane-2-carboxylic acid
CID 102944480
2-[1-(4-methylphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974742
(1S,2S,3R,4S)-3-[[(1R)-1-(4-methylphenyl)ethyl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 18557962
(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
5-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]oxolane-2-carboxylic acid
CID 102688785
(2R,5S)-5-[(4-propan-2-ylphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944341
(1S,6S)-6-[[(1R)-1-(4-methylphenyl)ethyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 27475382
(2S,5R)-5-[[carboxy(phenyl)methyl]carbamoyl]oxolane-2-carboxylic acid
CID 167986499
2-amino-N-[(1R)-1-(4-methylphenyl)ethyl]cycloheptane-1-carboxamide
CID 81355949

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[1-(4-methylphenyl)ethylcarbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-[1-(4-methylphenyl)ethylcarbamoyl]oxolane-2-carboxylic acid (CID 102944580) is (2R,5S)-5-[1-(4-methylphenyl)ethylcarbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-[1-(4-methylphenyl)ethylcarbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-[1-(4-methylphenyl)ethylcarbamoyl]oxolane-2-carboxylic acid is Cc1ccc(C(C)NC(=O)[C@@H]2CC[C@H](C(=O)O)O2)cc1.
What is the InChIKey of (2R,5S)-5-[1-(4-methylphenyl)ethylcarbamoyl]oxolane-2-carboxylic acid?
The InChIKey is OMXPOQHXMIBIEP-HEVMSJOKSA-N. The full InChI is InChI=1S/C15H19NO4/c1-9-3-5-11(6-4-9)10(2)16-14(17)12-7-8-13(20-12)15(18)19/h3-6,10,12-13H,7-8H2,1-2H3,(H,16,17)(H,18,19)/t10?,12-,13+/m0/s1.
What are the key properties of (2R,5S)-5-[1-(4-methylphenyl)ethylcarbamoyl]oxolane-2-carboxylic acid?
(2R,5S)-5-[1-(4-methylphenyl)ethylcarbamoyl]oxolane-2-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[1-(4-methylphenyl)ethylcarbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102944580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).