2-methyl-5-[[[(2R,3R)-2-phenyloxane-3-carbonyl]amino]methyl]furan-3-carboxylic acid

C19H21NO5 — CID 125148950

IUPAC2-methyl-5-[[[(2R,3R)-2-phenyloxane-3-carbonyl]amino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CNC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)cc1C(=O)O
InChIInChI=1S/C19H21NO5/c1-12-16(19(22)23)10-14(25-12)11-20-18(21)15-8-5-9-24-17(15)13-6-3-2-4-7-13/h2-4,6-7,10,15,17H,5,8-9,11H2,1H3,(H,20,21)(H,22,23)/t15-,17+/m1/s1
InChIKeyPMZRHUAUWAGILZ-WBVHZDCISA-N
MW343.38 g/mol
LogP3.07
Rot. Bonds5

About 2-methyl-5-[[[(2R,3R)-2-phenyloxane-3-carbonyl]amino]methyl]furan-3-carboxylic acid

2-methyl-5-[[[(2R,3R)-2-phenyloxane-3-carbonyl]amino]methyl]furan-3-carboxylic acid (PubChem CID 125148950) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-methyl-5-[[[(2R,3R)-2-phenyloxane-3-carbonyl]amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[[[(2R,3R)-2-phenyloxane-3-carbonyl]amino]methyl]furan-3-carboxylic acid
PubChem CID125148950
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name2-methyl-5-[[[(2R,3R)-2-phenyloxane-3-carbonyl]amino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CNC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)cc1C(=O)O
InChIInChI=1S/C19H21NO5/c1-12-16(19(22)23)10-14(25-12)11-20-18(21)15-8-5-9-24-17(15)13-6-3-2-4-7-13/h2-4,6-7,10,15,17H,5,8-9,11H2,1H3,(H,20,21)(H,22,23)/t15-,17+/m1/s1
InChIKeyPMZRHUAUWAGILZ-WBVHZDCISA-N
XLogP3.07
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-5-[[[(2R,3R)-2-phenyloxane-3-carbonyl]amino]methyl]furan-3-carboxylic acid with MolForge

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Related Compounds

2-methyl-5-[[[2-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]methyl]furan-3-carboxylic acid
CID 125150340
(2R,3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-phenyloxane-3-carboxamide
CID 97067524
2-[[(2S,3S)-2-(4-methylphenyl)oxane-3-carbonyl]amino]acetic acid
CID 125151438
2-methyl-5-[[(1-phenylcyclopropanecarbonyl)amino]methyl]furan-3-carboxylic acid
CID 119226970
5-[(2-phenyloxane-3-carbonyl)amino]pentanoic acid
CID 119235243
5-[[(2-cyclopentylacetyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 54907246
N-(2-amino-2-cyclopropylethyl)-2-phenyloxane-3-carboxamide
CID 115301019
2-phenyl-N-(piperidin-3-ylmethyl)oxane-3-carboxamide
CID 119461037
2-phenyl-N-(piperidin-3-ylmethyl)oxane-3-carboxamide;hydrochloride
CID 119461036
2-methyl-5-[[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]methyl]furan-3-carboxylic acid
CID 119226741
2-methyl-5-[[(1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 119226811
2-methyl-5-[(pyridazine-4-carbonylamino)methyl]furan-3-carboxylic acid
CID 112555135

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[[(2R,3R)-2-phenyloxane-3-carbonyl]amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[[[(2R,3R)-2-phenyloxane-3-carbonyl]amino]methyl]furan-3-carboxylic acid (CID 125148950) is 2-methyl-5-[[[(2R,3R)-2-phenyloxane-3-carbonyl]amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[[[(2R,3R)-2-phenyloxane-3-carbonyl]amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[[[(2R,3R)-2-phenyloxane-3-carbonyl]amino]methyl]furan-3-carboxylic acid is Cc1oc(CNC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-[[[(2R,3R)-2-phenyloxane-3-carbonyl]amino]methyl]furan-3-carboxylic acid?
The InChIKey is PMZRHUAUWAGILZ-WBVHZDCISA-N. The full InChI is InChI=1S/C19H21NO5/c1-12-16(19(22)23)10-14(25-12)11-20-18(21)15-8-5-9-24-17(15)13-6-3-2-4-7-13/h2-4,6-7,10,15,17H,5,8-9,11H2,1H3,(H,20,21)(H,22,23)/t15-,17+/m1/s1.
What are the key properties of 2-methyl-5-[[[(2R,3R)-2-phenyloxane-3-carbonyl]amino]methyl]furan-3-carboxylic acid?
2-methyl-5-[[[(2R,3R)-2-phenyloxane-3-carbonyl]amino]methyl]furan-3-carboxylic acid has a molecular weight of 343.38 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[[(2R,3R)-2-phenyloxane-3-carbonyl]amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 125148950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).