(2R,5S)-5-[[(1S)-1-(3-methoxyphenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid

C15H19NO5 — CID 102945502

IUPAC(2R,5S)-5-[[(1S)-1-(3-methoxyphenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid
SMILESCOc1cccc([C@H](C)NC(=O)[C@@H]2CC[C@H](C(=O)O)O2)c1
InChIInChI=1S/C15H19NO5/c1-9(10-4-3-5-11(8-10)20-2)16-14(17)12-6-7-13(21-12)15(18)19/h3-5,8-9,12-13H,6-7H2,1-2H3,(H,16,17)(H,18,19)/t9-,12-,13+/m0/s1
InChIKeyKMAGOLMSQTXWCS-TVYUQYBPSA-N
MW293.32 g/mol
LogP1.50
Rot. Bonds5

About (2R,5S)-5-[[(1S)-1-(3-methoxyphenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid

(2R,5S)-5-[[(1S)-1-(3-methoxyphenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid (PubChem CID 102945502) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is (2R,5S)-5-[[(1S)-1-(3-methoxyphenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-[[(1S)-1-(3-methoxyphenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid
PubChem CID102945502
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name(2R,5S)-5-[[(1S)-1-(3-methoxyphenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid
SMILESCOc1cccc([C@H](C)NC(=O)[C@@H]2CC[C@H](C(=O)O)O2)c1
InChIInChI=1S/C15H19NO5/c1-9(10-4-3-5-11(8-10)20-2)16-14(17)12-6-7-13(21-12)15(18)19/h3-5,8-9,12-13H,6-7H2,1-2H3,(H,16,17)(H,18,19)/t9-,12-,13+/m0/s1
InChIKeyKMAGOLMSQTXWCS-TVYUQYBPSA-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

5-[[(1R)-1-(3-methoxyphenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid
CID 102688768
5-[[(1S)-1-(4-methoxyphenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid
CID 102688760
trans-(1R,2R)-2-[[(1S)-1-(3-methoxyphenyl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 124716098
cis-(1R,2S)-2-[[(1S)-1-(3-methoxyphenyl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 124716099
2-[1-(3-methoxyphenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978075
3-[1-(3-methoxyphenyl)ethylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 17265803
N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 81373014
(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
2-amino-N-[1-(3-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 64823175
N-[1-(3-methoxyphenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 55229579
N-[1-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119280218

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[[(1S)-1-(3-methoxyphenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-[[(1S)-1-(3-methoxyphenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid (CID 102945502) is (2R,5S)-5-[[(1S)-1-(3-methoxyphenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-[[(1S)-1-(3-methoxyphenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-[[(1S)-1-(3-methoxyphenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid is COc1cccc([C@H](C)NC(=O)[C@@H]2CC[C@H](C(=O)O)O2)c1.
What is the InChIKey of (2R,5S)-5-[[(1S)-1-(3-methoxyphenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is KMAGOLMSQTXWCS-TVYUQYBPSA-N. The full InChI is InChI=1S/C15H19NO5/c1-9(10-4-3-5-11(8-10)20-2)16-14(17)12-6-7-13(21-12)15(18)19/h3-5,8-9,12-13H,6-7H2,1-2H3,(H,16,17)(H,18,19)/t9-,12-,13+/m0/s1.
What are the key properties of (2R,5S)-5-[[(1S)-1-(3-methoxyphenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid?
(2R,5S)-5-[[(1S)-1-(3-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 (2R,5S)-5-[[(1S)-1-(3-methoxyphenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102945502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).