[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate

C19H18N2O5 — CID 7880037

IUPAC[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
SMILESCc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)CNC(=O)c1ccco1
InChIInChI=1S/C19H18N2O5/c1-11-17(13-6-3-4-7-14(13)21-11)18(23)12(2)26-16(22)10-20-19(24)15-8-5-9-25-15/h3-9,12,21H,10H2,1-2H3,(H,20,24)/t12-/m0/s1
InChIKeyPKYNMCUVXFSERR-LBPRGKRZSA-N
MW354.36 g/mol
LogP2.61
Rot. Bonds6

About [(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate

[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate (PubChem CID 7880037) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is [(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate.

Molecular Properties

Compound Name[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
PubChem CID7880037
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
SMILESCc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)CNC(=O)c1ccco1
InChIInChI=1S/C19H18N2O5/c1-11-17(13-6-3-4-7-14(13)21-11)18(23)12(2)26-16(22)10-20-19(24)15-8-5-9-25-15/h3-9,12,21H,10H2,1-2H3,(H,20,24)/t12-/m0/s1
InChIKeyPKYNMCUVXFSERR-LBPRGKRZSA-N
XLogP2.61
TPSA101.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate with MolForge

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Related Compounds

[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] furan-2-carboxylate
CID 16540533
methyl 5-[(2R)-2-[2-(furan-2-carbonylamino)acetyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 7880040
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7882408
[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 4-methylpentanoate
CID 7848272
[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-[(4-fluorophenyl)sulfonylamino]acetate
CID 7954221
[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 3-(pyrimidin-2-ylamino)propanoate
CID 55701235
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate
CID 7599860
[1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)butanoate
CID 55404779
[1-(carbamoylamino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
CID 42970594
[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 3-(4-methylphenyl)sulfonylpropanoate
CID 2081390
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] (2R)-2-hydroxy-2-phenylacetate
CID 7821861
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
CID 7879838

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate?
The IUPAC name of [(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate (CID 7880037) is [(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate.
What is the SMILES notation for [(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate?
The canonical SMILES for [(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate is Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)CNC(=O)c1ccco1.
What is the InChIKey of [(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate?
The InChIKey is PKYNMCUVXFSERR-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-11-17(13-6-3-4-7-14(13)21-11)18(23)12(2)26-16(22)10-20-19(24)15-8-5-9-25-15/h3-9,12,21H,10H2,1-2H3,(H,20,24)/t12-/m0/s1.
What are the key properties of [(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate?
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate has a molecular weight of 354.36 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate is sourced from PubChem (CID 7880037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).