propan-2-yl 4-[[2-[(1R,2S)-2-methylcyclopropanecarbonyl]oxyacetyl]amino]benzoate

C17H21NO5 — CID 8019758

IUPACpropan-2-yl 4-[[2-[(1R,2S)-2-methylcyclopropanecarbonyl]oxyacetyl]amino]benzoate
SMILESCC(C)OC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2C[C@@H]2C)cc1
InChIInChI=1S/C17H21NO5/c1-10(2)23-16(20)12-4-6-13(7-5-12)18-15(19)9-22-17(21)14-8-11(14)3/h4-7,10-11,14H,8-9H2,1-3H3,(H,18,19)/t11-,14+/m0/s1
InChIKeyNUMAXUUONSWZCR-SMDDNHRTSA-N
MW319.36 g/mol
LogP2.39
Rot. Bonds6

About propan-2-yl 4-[[2-[(1R,2S)-2-methylcyclopropanecarbonyl]oxyacetyl]amino]benzoate

propan-2-yl 4-[[2-[(1R,2S)-2-methylcyclopropanecarbonyl]oxyacetyl]amino]benzoate (PubChem CID 8019758) has the molecular formula C17H21NO5 and a molecular weight of 319.36 g/mol. Its IUPAC name is propan-2-yl 4-[[2-[(1R,2S)-2-methylcyclopropanecarbonyl]oxyacetyl]amino]benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-[[2-[(1R,2S)-2-methylcyclopropanecarbonyl]oxyacetyl]amino]benzoate
PubChem CID8019758
Molecular FormulaC17H21NO5
Molecular Weight319.36 g/mol
Exact Mass319.14
IUPAC Namepropan-2-yl 4-[[2-[(1R,2S)-2-methylcyclopropanecarbonyl]oxyacetyl]amino]benzoate
SMILESCC(C)OC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2C[C@@H]2C)cc1
InChIInChI=1S/C17H21NO5/c1-10(2)23-16(20)12-4-6-13(7-5-12)18-15(19)9-22-17(21)14-8-11(14)3/h4-7,10-11,14H,8-9H2,1-3H3,(H,18,19)/t11-,14+/m0/s1
InChIKeyNUMAXUUONSWZCR-SMDDNHRTSA-N
XLogP2.39
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze propan-2-yl 4-[[2-[(1R,2S)-2-methylcyclopropanecarbonyl]oxyacetyl]amino]benzoate with MolForge

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Related Compounds

cis-[2-oxo-2-(4-propan-2-ylanilino)ethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate
CID 7778091
[2-(4-bromoanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
CID 23820553
cis-[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate
CID 8020252
cis-[2-(4-cyanoanilino)-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate
CID 8020721
trans-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 7778054
propan-2-yl 4-[[2-(4-nitrobenzoyl)oxyacetyl]amino]benzoate
CID 7859404
[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 7833853
2-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethoxy]acetic acid
CID 60662033
propan-2-yl 4-[[2-[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]oxyacetyl]amino]benzoate
CID 9454501
trans-[2-(3,4-dimethoxyanilino)-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 8020711
cis-[2-(4-morpholin-4-ylanilino)-2-oxoethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate
CID 7952589
trans-[2-(3-acetamidoanilino)-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 7776746

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[[2-[(1R,2S)-2-methylcyclopropanecarbonyl]oxyacetyl]amino]benzoate?
The IUPAC name of propan-2-yl 4-[[2-[(1R,2S)-2-methylcyclopropanecarbonyl]oxyacetyl]amino]benzoate (CID 8019758) is propan-2-yl 4-[[2-[(1R,2S)-2-methylcyclopropanecarbonyl]oxyacetyl]amino]benzoate.
What is the SMILES notation for propan-2-yl 4-[[2-[(1R,2S)-2-methylcyclopropanecarbonyl]oxyacetyl]amino]benzoate?
The canonical SMILES for propan-2-yl 4-[[2-[(1R,2S)-2-methylcyclopropanecarbonyl]oxyacetyl]amino]benzoate is CC(C)OC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2C[C@@H]2C)cc1.
What is the InChIKey of propan-2-yl 4-[[2-[(1R,2S)-2-methylcyclopropanecarbonyl]oxyacetyl]amino]benzoate?
The InChIKey is NUMAXUUONSWZCR-SMDDNHRTSA-N. The full InChI is InChI=1S/C17H21NO5/c1-10(2)23-16(20)12-4-6-13(7-5-12)18-15(19)9-22-17(21)14-8-11(14)3/h4-7,10-11,14H,8-9H2,1-3H3,(H,18,19)/t11-,14+/m0/s1.
What are the key properties of propan-2-yl 4-[[2-[(1R,2S)-2-methylcyclopropanecarbonyl]oxyacetyl]amino]benzoate?
propan-2-yl 4-[[2-[(1R,2S)-2-methylcyclopropanecarbonyl]oxyacetyl]amino]benzoate has a molecular weight of 319.36 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[[2-[(1R,2S)-2-methylcyclopropanecarbonyl]oxyacetyl]amino]benzoate is sourced from PubChem (CID 8019758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).