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

C19H24N2O4 — CID 97023036

IUPAC1-[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]cyclohexane-1-carboxylic acid
SMILESC[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NC2(C(=O)O)CCCCC2)c1
InChIInChI=1S/C19H24N2O4/c1-12-10-15(12)17(23)20-14-7-5-6-13(11-14)16(22)21-19(18(24)25)8-3-2-4-9-19/h5-7,11-12,15H,2-4,8-10H2,1H3,(H,20,23)(H,21,22)(H,24,25)/t12-,15+/m0/s1
InChIKeyRSXTXOOOOMZYGG-SWLSCSKDSA-N
MW344.41 g/mol
LogP2.80
Rot. Bonds5

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

1-[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 97023036) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID97023036
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name1-[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]cyclohexane-1-carboxylic acid
SMILESC[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NC2(C(=O)O)CCCCC2)c1
InChIInChI=1S/C19H24N2O4/c1-12-10-15(12)17(23)20-14-7-5-6-13(11-14)16(22)21-19(18(24)25)8-3-2-4-9-19/h5-7,11-12,15H,2-4,8-10H2,1H3,(H,20,23)(H,21,22)(H,24,25)/t12-,15+/m0/s1
InChIKeyRSXTXOOOOMZYGG-SWLSCSKDSA-N
XLogP2.80
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

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Related Compounds

1-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclohexane-1-carboxylic acid
CID 71941988
methyl 1-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclohexane-1-carboxylate
CID 55670750
N-(1-cyanocyclohexyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 87012107
1-[methyl-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclohexane-1-carboxylic acid
CID 120539430
N-cyclooctyl-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 39896916
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
3-[(2-methylcyclopropanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 51318010
N-[3-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 46450403
N-[3-(benzenesulfonamido)phenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46465654
dimethyl 5-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzene-1,3-dicarboxylate
CID 55667093
N-[3-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride
CID 119432738
N-[3-(methanesulfonamido)phenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 42959478

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]cyclohexane-1-carboxylic acid (CID 97023036) is 1-[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]cyclohexane-1-carboxylic acid is C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NC2(C(=O)O)CCCCC2)c1.
What is the InChIKey of 1-[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is RSXTXOOOOMZYGG-SWLSCSKDSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-12-10-15(12)17(23)20-14-7-5-6-13(11-14)16(22)21-19(18(24)25)8-3-2-4-9-19/h5-7,11-12,15H,2-4,8-10H2,1H3,(H,20,23)(H,21,22)(H,24,25)/t12-,15+/m0/s1.
What are the key properties of 1-[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]cyclohexane-1-carboxylic acid?
1-[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 344.41 g/mol, XLogP of 2.80, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 97023036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).