cis-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] (1R,2S)-2-methylcyclopropane-1-carboxylate

C17H19NO3 — CID 11921076

IUPACcis-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] (1R,2S)-2-methylcyclopropane-1-carboxylate
SMILESCc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)[C@@H]1C[C@@H]1C
InChIInChI=1S/C17H19NO3/c1-9-8-13(9)17(20)21-11(3)16(19)15-10(2)18-14-7-5-4-6-12(14)15/h4-7,9,11,13,18H,8H2,1-3H3/t9-,11+,13+/m0/s1
InChIKeyPLLDBUWUZVQZEJ-UFGOTCBOSA-N
MW285.34 g/mol
LogP3.25
Rot. Bonds4

About cis-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] (1R,2S)-2-methylcyclopropane-1-carboxylate

cis-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] (1R,2S)-2-methylcyclopropane-1-carboxylate (PubChem CID 11921076) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is cis-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] (1R,2S)-2-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] (1R,2S)-2-methylcyclopropane-1-carboxylate
PubChem CID11921076
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Namecis-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] (1R,2S)-2-methylcyclopropane-1-carboxylate
SMILESCc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)[C@@H]1C[C@@H]1C
InChIInChI=1S/C17H19NO3/c1-9-8-13(9)17(20)21-11(3)16(19)15-10(2)18-14-7-5-4-6-12(14)15/h4-7,9,11,13,18H,8H2,1-3H3/t9-,11+,13+/m0/s1
InChIKeyPLLDBUWUZVQZEJ-UFGOTCBOSA-N
XLogP3.25
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] cyclobutanecarboxylate
CID 8019458
[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] (1R)-cyclohex-3-ene-1-carboxylate
CID 7932524
cis-[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] (1S,2R)-2-methylcyclopropane-1-carboxylate
CID 8020011
[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] (E)-3-phenylprop-2-enoate
CID 16540889
[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] furan-2-carboxylate
CID 16540533
[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 4-methylpentanoate
CID 7848272
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] (2R)-2-hydroxy-2-phenylacetate
CID 7821861
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-chlorobenzoate
CID 7477053
[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 46789976
[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 1H-indole-3-carboxylate
CID 7517605
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 4-bromobenzoate
CID 7889689
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 4-(trifluoromethyl)benzoate
CID 7859918

Frequently Asked Questions

What is the IUPAC name of cis-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] (1R,2S)-2-methylcyclopropane-1-carboxylate?
The IUPAC name of cis-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] (1R,2S)-2-methylcyclopropane-1-carboxylate (CID 11921076) is cis-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] (1R,2S)-2-methylcyclopropane-1-carboxylate.
What is the SMILES notation for cis-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] (1R,2S)-2-methylcyclopropane-1-carboxylate?
The canonical SMILES for cis-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] (1R,2S)-2-methylcyclopropane-1-carboxylate is Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)[C@@H]1C[C@@H]1C.
What is the InChIKey of cis-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] (1R,2S)-2-methylcyclopropane-1-carboxylate?
The InChIKey is PLLDBUWUZVQZEJ-UFGOTCBOSA-N. The full InChI is InChI=1S/C17H19NO3/c1-9-8-13(9)17(20)21-11(3)16(19)15-10(2)18-14-7-5-4-6-12(14)15/h4-7,9,11,13,18H,8H2,1-3H3/t9-,11+,13+/m0/s1.
What are the key properties of cis-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] (1R,2S)-2-methylcyclopropane-1-carboxylate?
cis-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] (1R,2S)-2-methylcyclopropane-1-carboxylate has a molecular weight of 285.34 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] (1R,2S)-2-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 11921076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).