ethyl (2S)-2-[[3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]propanoate

C17H22N2O4 — CID 129418999

IUPACethyl (2S)-2-[[3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]propanoate
SMILESCCOC(=O)[C@H](C)NC(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1
InChIInChI=1S/C17H22N2O4/c1-4-23-17(22)11(3)18-15(20)12-6-5-7-13(9-12)19-16(21)14-8-10(14)2/h5-7,9-11,14H,4,8H2,1-3H3,(H,18,20)(H,19,21)/t10-,11+,14+/m1/s1
InChIKeyOUVULGODGMMJHB-SUNKGSAMSA-N
MW318.37 g/mol
LogP1.96
Rot. Bonds6

About ethyl (2S)-2-[[3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]propanoate

ethyl (2S)-2-[[3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]propanoate (PubChem CID 129418999) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is ethyl (2S)-2-[[3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]propanoate.

Molecular Properties

Compound Nameethyl (2S)-2-[[3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]propanoate
PubChem CID129418999
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Nameethyl (2S)-2-[[3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]propanoate
SMILESCCOC(=O)[C@H](C)NC(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1
InChIInChI=1S/C17H22N2O4/c1-4-23-17(22)11(3)18-15(20)12-6-5-7-13(9-12)19-16(21)14-8-10(14)2/h5-7,9-11,14H,4,8H2,1-3H3,(H,18,20)(H,19,21)/t10-,11+,14+/m1/s1
InChIKeyOUVULGODGMMJHB-SUNKGSAMSA-N
XLogP1.96
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl (2S)-2-[[3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]propanoate with MolForge

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Related Compounds

N-(1-aminohexan-2-yl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 119667522
N-(2-amino-1-cyclopropylethyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 119616196
N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 56533188
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
N-[2-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 120827773
2-methyl-2-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]butanoic acid
CID 119199006
dimethyl 5-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzene-1,3-dicarboxylate
CID 55667093
N-[[2-(ethoxymethyl)phenyl]methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 47028913
3-[(2-methylcyclopropanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 51318010
N-(4-hydroxy-2,2-dimethylpentyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 111480659
3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzamide
CID 98727874
N-[3-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 46450403

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-[[3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]propanoate?
The IUPAC name of ethyl (2S)-2-[[3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]propanoate (CID 129418999) is ethyl (2S)-2-[[3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]propanoate.
What is the SMILES notation for ethyl (2S)-2-[[3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]propanoate?
The canonical SMILES for ethyl (2S)-2-[[3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]propanoate is CCOC(=O)[C@H](C)NC(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1.
What is the InChIKey of ethyl (2S)-2-[[3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]propanoate?
The InChIKey is OUVULGODGMMJHB-SUNKGSAMSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-4-23-17(22)11(3)18-15(20)12-6-5-7-13(9-12)19-16(21)14-8-10(14)2/h5-7,9-11,14H,4,8H2,1-3H3,(H,18,20)(H,19,21)/t10-,11+,14+/m1/s1.
What are the key properties of ethyl (2S)-2-[[3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]propanoate?
ethyl (2S)-2-[[3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]propanoate has a molecular weight of 318.37 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[[3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]propanoate is sourced from PubChem (CID 129418999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).