(2R,5S)-5-[2-(3-methoxyphenyl)ethylcarbamoyl]oxolane-2-carboxylic acid

C15H19NO5 — CID 107846631

IUPAC(2R,5S)-5-[2-(3-methoxyphenyl)ethylcarbamoyl]oxolane-2-carboxylic acid
SMILESCOc1cccc(CCNC(=O)[C@@H]2CC[C@H](C(=O)O)O2)c1
InChIInChI=1S/C15H19NO5/c1-20-11-4-2-3-10(9-11)7-8-16-14(17)12-5-6-13(21-12)15(18)19/h2-4,9,12-13H,5-8H2,1H3,(H,16,17)(H,18,19)/t12-,13+/m0/s1
InChIKeyRZTGKLWNAVSUDQ-QWHCGFSZSA-N
MW293.32 g/mol
LogP0.99
Rot. Bonds6

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

(2R,5S)-5-[2-(3-methoxyphenyl)ethylcarbamoyl]oxolane-2-carboxylic acid (PubChem CID 107846631) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is (2R,5S)-5-[2-(3-methoxyphenyl)ethylcarbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-[2-(3-methoxyphenyl)ethylcarbamoyl]oxolane-2-carboxylic acid
PubChem CID107846631
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name(2R,5S)-5-[2-(3-methoxyphenyl)ethylcarbamoyl]oxolane-2-carboxylic acid
SMILESCOc1cccc(CCNC(=O)[C@@H]2CC[C@H](C(=O)O)O2)c1
InChIInChI=1S/C15H19NO5/c1-20-11-4-2-3-10(9-11)7-8-16-14(17)12-5-6-13(21-12)15(18)19/h2-4,9,12-13H,5-8H2,1H3,(H,16,17)(H,18,19)/t12-,13+/m0/s1
InChIKeyRZTGKLWNAVSUDQ-QWHCGFSZSA-N
XLogP0.99
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 ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]cyclohexanecarboxamide
CID 47041879
4-methoxy-N-[2-(3-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 112529647
2-[cyclopropyl-[2-(3-methoxyphenyl)ethylcarbamoyl]amino]acetic acid
CID 103996280
2,2-dichloro-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 78879212
2-N-butyl-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109131252
3-[2-[[(2S,5S)-5-methyloxolane-2-carbonyl]amino]ethyl]benzoic acid
CID 124591584
N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide
CID 110478240
N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]oxamide
CID 108985428
phenyl N-[2-(3-methoxyphenyl)ethyl]carbamate
CID 110755565
2-N-[2-(3-methoxyphenyl)ethyl]-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
CID 109130661
N-[2-(3-methoxyphenyl)ethyl]-2,6-dimethylmorpholine-4-carboxamide
CID 108900892
1-[(3-methoxyphenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 1343442

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[2-(3-methoxyphenyl)ethylcarbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-[2-(3-methoxyphenyl)ethylcarbamoyl]oxolane-2-carboxylic acid (CID 107846631) is (2R,5S)-5-[2-(3-methoxyphenyl)ethylcarbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-[2-(3-methoxyphenyl)ethylcarbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-[2-(3-methoxyphenyl)ethylcarbamoyl]oxolane-2-carboxylic acid is COc1cccc(CCNC(=O)[C@@H]2CC[C@H](C(=O)O)O2)c1.
What is the InChIKey of (2R,5S)-5-[2-(3-methoxyphenyl)ethylcarbamoyl]oxolane-2-carboxylic acid?
The InChIKey is RZTGKLWNAVSUDQ-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H19NO5/c1-20-11-4-2-3-10(9-11)7-8-16-14(17)12-5-6-13(21-12)15(18)19/h2-4,9,12-13H,5-8H2,1H3,(H,16,17)(H,18,19)/t12-,13+/m0/s1.
What are the key properties of (2R,5S)-5-[2-(3-methoxyphenyl)ethylcarbamoyl]oxolane-2-carboxylic acid?
(2R,5S)-5-[2-(3-methoxyphenyl)ethylcarbamoyl]oxolane-2-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[2-(3-methoxyphenyl)ethylcarbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 107846631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).