2-methyl-5-[[methyl-[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]methyl]furan-3-carboxylic acid

C19H21NO4 — CID 125132026

IUPAC2-methyl-5-[[methyl-[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]methyl]furan-3-carboxylic acid
SMILESCc1ccccc1[C@H]1C[C@@H]1C(=O)N(C)Cc1cc(C(=O)O)c(C)o1
InChIInChI=1S/C19H21NO4/c1-11-6-4-5-7-14(11)16-9-17(16)18(21)20(3)10-13-8-15(19(22)23)12(2)24-13/h4-8,16-17H,9-10H2,1-3H3,(H,22,23)/t16-,17+/m1/s1
InChIKeyCJQZZJUCQDQVMW-SJORKVTESA-N
MW327.38 g/mol
LogP3.36
Rot. Bonds5

About 2-methyl-5-[[methyl-[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]methyl]furan-3-carboxylic acid

2-methyl-5-[[methyl-[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]methyl]furan-3-carboxylic acid (PubChem CID 125132026) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-methyl-5-[[methyl-[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[[methyl-[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]methyl]furan-3-carboxylic acid
PubChem CID125132026
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name2-methyl-5-[[methyl-[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]methyl]furan-3-carboxylic acid
SMILESCc1ccccc1[C@H]1C[C@@H]1C(=O)N(C)Cc1cc(C(=O)O)c(C)o1
InChIInChI=1S/C19H21NO4/c1-11-6-4-5-7-14(11)16-9-17(16)18(21)20(3)10-13-8-15(19(22)23)12(2)24-13/h4-8,16-17H,9-10H2,1-3H3,(H,22,23)/t16-,17+/m1/s1
InChIKeyCJQZZJUCQDQVMW-SJORKVTESA-N
XLogP3.36
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-5-[[methyl-[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]methyl]furan-3-carboxylic acid with MolForge

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Related Compounds

2-methyl-5-[[methyl-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]methyl]furan-3-carboxylic acid
CID 125119372
5-[[[(1R,2R)-2-(2,3-difluorophenyl)cyclopropanecarbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 125132118
2-methyl-5-[[methyl-[2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]methyl]furan-3-carboxylic acid
CID 119221844
2-methyl-5-[[methyl-(2-methylbenzoyl)amino]methyl]furan-3-carboxylic acid
CID 119222158
2-methyl-5-[[methyl-[2-(2-methylphenyl)acetyl]amino]methyl]furan-3-carboxylic acid
CID 119222717
2-methyl-5-[[methyl-[(4R)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carbonyl]amino]methyl]furan-3-carboxylic acid
CID 125152313
2-methyl-5-[[methyl-(3-methylpyridine-2-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 120522958
2-methyl-5-[[methyl-[4-(2-methylphenoxy)butanoyl]amino]methyl]furan-3-carboxylic acid
CID 119222646
5-[[(2,2-difluoro-2-phenylacetyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222476
5-[[[2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)acetyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222624
5-[[[2-[(1R)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]acetyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 125151359
5-[[(2-cyclopropylquinoline-4-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 120522952

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[methyl-[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[[methyl-[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]methyl]furan-3-carboxylic acid (CID 125132026) is 2-methyl-5-[[methyl-[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[[methyl-[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[[methyl-[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]methyl]furan-3-carboxylic acid is Cc1ccccc1[C@H]1C[C@@H]1C(=O)N(C)Cc1cc(C(=O)O)c(C)o1.
What is the InChIKey of 2-methyl-5-[[methyl-[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]methyl]furan-3-carboxylic acid?
The InChIKey is CJQZZJUCQDQVMW-SJORKVTESA-N. The full InChI is InChI=1S/C19H21NO4/c1-11-6-4-5-7-14(11)16-9-17(16)18(21)20(3)10-13-8-15(19(22)23)12(2)24-13/h4-8,16-17H,9-10H2,1-3H3,(H,22,23)/t16-,17+/m1/s1.
What are the key properties of 2-methyl-5-[[methyl-[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]methyl]furan-3-carboxylic acid?
2-methyl-5-[[methyl-[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]methyl]furan-3-carboxylic acid has a molecular weight of 327.38 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[methyl-[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 125132026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).