5-[[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]methyl]furan-2-carboxylic acid

C18H18N2O5 — CID 129466586

IUPAC5-[[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]methyl]furan-2-carboxylic acid
SMILESC[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NCc2ccc(C(=O)O)o2)c1
InChIInChI=1S/C18H18N2O5/c1-10-7-14(10)17(22)20-12-4-2-3-11(8-12)16(21)19-9-13-5-6-15(25-13)18(23)24/h2-6,8,10,14H,7,9H2,1H3,(H,19,21)(H,20,22)(H,23,24)/t10-,14+/m0/s1
InChIKeyPZGDRKXPCZTJLF-IINYFYTJSA-N
MW342.35 g/mol
LogP2.50
Rot. Bonds6

About 5-[[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]methyl]furan-2-carboxylic acid

5-[[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]methyl]furan-2-carboxylic acid (PubChem CID 129466586) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is 5-[[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]methyl]furan-2-carboxylic acid
PubChem CID129466586
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name5-[[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]methyl]furan-2-carboxylic acid
SMILESC[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NCc2ccc(C(=O)O)o2)c1
InChIInChI=1S/C18H18N2O5/c1-10-7-14(10)17(22)20-12-4-2-3-11(8-12)16(21)19-9-13-5-6-15(25-13)18(23)24/h2-6,8,10,14H,7,9H2,1H3,(H,19,21)(H,20,22)(H,23,24)/t10-,14+/m0/s1
InChIKeyPZGDRKXPCZTJLF-IINYFYTJSA-N
XLogP2.50
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]methyl]furan-2-carboxylic acid with MolForge

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Related Compounds

5-[[[3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]methyl]furan-2-carboxylic acid
CID 129466587
5-[[[3-(oxolane-2-carbonylamino)benzoyl]amino]methyl]furan-2-carboxylic acid
CID 119245842
N-[2-(4-fluorophenyl)ethyl]-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 38705932
3-[(2-methylcyclopropanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 51318010
3-[(2-methylcyclopropanecarbonyl)amino]-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide
CID 55656434
5-[[[3-(dimethylamino)benzoyl]amino]methyl]furan-2-carboxylic acid
CID 79993469
N-[(1-ethylpiperidin-4-yl)methyl]-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 94184057
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
N-[3-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride
CID 119432738
N-[2-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 120827773
3-[(2-methylcyclopropanecarbonyl)amino]-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513177
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride
CID 120948616

Frequently Asked Questions

What is the IUPAC name of 5-[[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]methyl]furan-2-carboxylic acid (CID 129466586) is 5-[[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]methyl]furan-2-carboxylic acid is C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NCc2ccc(C(=O)O)o2)c1.
What is the InChIKey of 5-[[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]methyl]furan-2-carboxylic acid?
The InChIKey is PZGDRKXPCZTJLF-IINYFYTJSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-10-7-14(10)17(22)20-12-4-2-3-11(8-12)16(21)19-9-13-5-6-15(25-13)18(23)24/h2-6,8,10,14H,7,9H2,1H3,(H,19,21)(H,20,22)(H,23,24)/t10-,14+/m0/s1.
What are the key properties of 5-[[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]methyl]furan-2-carboxylic acid?
5-[[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]methyl]furan-2-carboxylic acid has a molecular weight of 342.35 g/mol, XLogP of 2.50, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 129466586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).