2-methyl-5-[[[2-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]methyl]furan-3-carboxylic acid

C19H21NO6 — CID 125150340

IUPAC2-methyl-5-[[[2-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CNC(=O)c2ccccc2OC[C@H]2CCCO2)cc1C(=O)O
InChIInChI=1S/C19H21NO6/c1-12-16(19(22)23)9-14(26-12)10-20-18(21)15-6-2-3-7-17(15)25-11-13-5-4-8-24-13/h2-3,6-7,9,13H,4-5,8,10-11H2,1H3,(H,20,21)(H,22,23)/t13-/m1/s1
InChIKeyCYGLMFUZZPSQMN-CYBMUJFWSA-N
MW359.38 g/mol
LogP2.77
Rot. Bonds7

About 2-methyl-5-[[[2-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]methyl]furan-3-carboxylic acid

2-methyl-5-[[[2-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]methyl]furan-3-carboxylic acid (PubChem CID 125150340) has the molecular formula C19H21NO6 and a molecular weight of 359.38 g/mol. Its IUPAC name is 2-methyl-5-[[[2-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[[[2-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]methyl]furan-3-carboxylic acid
PubChem CID125150340
Molecular FormulaC19H21NO6
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Name2-methyl-5-[[[2-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CNC(=O)c2ccccc2OC[C@H]2CCCO2)cc1C(=O)O
InChIInChI=1S/C19H21NO6/c1-12-16(19(22)23)9-14(26-12)10-20-18(21)15-6-2-3-7-17(15)25-11-13-5-4-8-24-13/h2-3,6-7,9,13H,4-5,8,10-11H2,1H3,(H,20,21)(H,22,23)/t13-/m1/s1
InChIKeyCYGLMFUZZPSQMN-CYBMUJFWSA-N
XLogP2.77
TPSA98.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-5-[[[2-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]methyl]furan-3-carboxylic acid with MolForge

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Related Compounds

2-(oxolan-2-ylmethoxy)-N-prop-2-ynylbenzamide
CID 43047937
2-(oxolan-2-ylmethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 43035749
N-(3-hydroxypropyl)-2-(oxolan-2-ylmethoxy)benzamide
CID 78854576
2-(oxolan-2-ylmethoxy)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 46422005
2-[[(2R)-oxolan-2-yl]methoxy]-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 30687716
2-methyl-5-[[[(2R,3R)-2-phenyloxane-3-carbonyl]amino]methyl]furan-3-carboxylic acid
CID 125148950
N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-2-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 25498534
N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 30797106
methyl (E)-4-[[2-(oxolan-2-ylmethoxy)benzoyl]amino]but-2-enoate
CID 146076875
(2R)-4-methyl-2-[[2-[[(2S)-oxolan-2-yl]methoxy]benzoyl]amino]pentanoic acid
CID 125152132
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(oxolan-2-ylmethoxy)benzamide
CID 46536372
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(oxolan-2-ylmethoxy)benzamide
CID 43034954

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[[2-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[[[2-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]methyl]furan-3-carboxylic acid (CID 125150340) is 2-methyl-5-[[[2-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[[[2-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[[[2-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]methyl]furan-3-carboxylic acid is Cc1oc(CNC(=O)c2ccccc2OC[C@H]2CCCO2)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-[[[2-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]methyl]furan-3-carboxylic acid?
The InChIKey is CYGLMFUZZPSQMN-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H21NO6/c1-12-16(19(22)23)9-14(26-12)10-20-18(21)15-6-2-3-7-17(15)25-11-13-5-4-8-24-13/h2-3,6-7,9,13H,4-5,8,10-11H2,1H3,(H,20,21)(H,22,23)/t13-/m1/s1.
What are the key properties of 2-methyl-5-[[[2-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]methyl]furan-3-carboxylic acid?
2-methyl-5-[[[2-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]methyl]furan-3-carboxylic acid has a molecular weight of 359.38 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[[2-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 125150340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).