(2R,5S)-5-[(2-methoxyphenyl)methyl-methylcarbamoyl]oxolane-2-carboxylic acid

C15H19NO5 — CID 102944496

IUPAC(2R,5S)-5-[(2-methoxyphenyl)methyl-methylcarbamoyl]oxolane-2-carboxylic acid
SMILESCOc1ccccc1CN(C)C(=O)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C15H19NO5/c1-16(9-10-5-3-4-6-11(10)20-2)14(17)12-7-8-13(21-12)15(18)19/h3-6,12-13H,7-9H2,1-2H3,(H,18,19)/t12-,13+/m0/s1
InChIKeyUWCHILJGSCEDKF-QWHCGFSZSA-N
MW293.32 g/mol
LogP1.29
Rot. Bonds5

About (2R,5S)-5-[(2-methoxyphenyl)methyl-methylcarbamoyl]oxolane-2-carboxylic acid

(2R,5S)-5-[(2-methoxyphenyl)methyl-methylcarbamoyl]oxolane-2-carboxylic acid (PubChem CID 102944496) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is (2R,5S)-5-[(2-methoxyphenyl)methyl-methylcarbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-[(2-methoxyphenyl)methyl-methylcarbamoyl]oxolane-2-carboxylic acid
PubChem CID102944496
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name(2R,5S)-5-[(2-methoxyphenyl)methyl-methylcarbamoyl]oxolane-2-carboxylic acid
SMILESCOc1ccccc1CN(C)C(=O)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C15H19NO5/c1-16(9-10-5-3-4-6-11(10)20-2)14(17)12-7-8-13(21-12)15(18)19/h3-6,12-13H,7-9H2,1-2H3,(H,18,19)/t12-,13+/m0/s1
InChIKeyUWCHILJGSCEDKF-QWHCGFSZSA-N
XLogP1.29
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methoxyphenyl)methyl-methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103977987
N-[(2-methoxyphenyl)methyl]-N,6-dimethylpiperidine-2-carboxamide
CID 61417523
(3S)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 81128624
4-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 79511106
N-[(2-methoxyphenyl)methyl]-N,3-dimethylpyrrolidine-2-carboxamide
CID 102778901
5-[(4-hydroxyphenyl)methyl-methylcarbamoyl]oxolane-2-carboxylic acid
CID 102688209
N-[(2-methoxyphenyl)methyl]-N-methylpiperazine-2-carboxamide
CID 55178802
(2S)-4-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 94027974
N-[(2-methoxyphenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide
CID 106739545
3-[(2-methoxyphenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62232246
N-[(2-methoxyphenyl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119266864
N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 60630949

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[(2-methoxyphenyl)methyl-methylcarbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-[(2-methoxyphenyl)methyl-methylcarbamoyl]oxolane-2-carboxylic acid (CID 102944496) is (2R,5S)-5-[(2-methoxyphenyl)methyl-methylcarbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-[(2-methoxyphenyl)methyl-methylcarbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-[(2-methoxyphenyl)methyl-methylcarbamoyl]oxolane-2-carboxylic acid is COc1ccccc1CN(C)C(=O)[C@@H]1CC[C@H](C(=O)O)O1.
What is the InChIKey of (2R,5S)-5-[(2-methoxyphenyl)methyl-methylcarbamoyl]oxolane-2-carboxylic acid?
The InChIKey is UWCHILJGSCEDKF-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H19NO5/c1-16(9-10-5-3-4-6-11(10)20-2)14(17)12-7-8-13(21-12)15(18)19/h3-6,12-13H,7-9H2,1-2H3,(H,18,19)/t12-,13+/m0/s1.
What are the key properties of (2R,5S)-5-[(2-methoxyphenyl)methyl-methylcarbamoyl]oxolane-2-carboxylic acid?
(2R,5S)-5-[(2-methoxyphenyl)methyl-methylcarbamoyl]oxolane-2-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[(2-methoxyphenyl)methyl-methylcarbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102944496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).