(2S)-1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylate

C17H14NO4- — CID 6932063

IUPAC(2S)-1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylate
SMILESO=C([O-])[C@@H]1Cc2ccccc2N1C(=O)OCc1ccccc1
InChIInChI=1S/C17H15NO4/c19-16(20)15-10-13-8-4-5-9-14(13)18(15)17(21)22-11-12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,19,20)/p-1/t15-/m0/s1
InChIKeyBSOYWTITVKXHLM-HNNXBMFYSA-M
MW296.30 g/mol
LogP1.50
Rot. Bonds3

About (2S)-1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylate

(2S)-1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylate (PubChem CID 6932063) has the molecular formula C17H14NO4- and a molecular weight of 296.30 g/mol. Its IUPAC name is (2S)-1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylate.

Molecular Properties

Compound Name(2S)-1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylate
PubChem CID6932063
Molecular FormulaC17H14NO4-
Molecular Weight296.30 g/mol
Exact Mass296.09
IUPAC Name(2S)-1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylate
SMILESO=C([O-])[C@@H]1Cc2ccccc2N1C(=O)OCc1ccccc1
InChIInChI=1S/C17H15NO4/c19-16(20)15-10-13-8-4-5-9-14(13)18(15)17(21)22-11-12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,19,20)/p-1/t15-/m0/s1
InChIKeyBSOYWTITVKXHLM-HNNXBMFYSA-M
XLogP1.50
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylate?
The IUPAC name of (2S)-1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylate (CID 6932063) is (2S)-1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylate.
What is the SMILES notation for (2S)-1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylate?
The canonical SMILES for (2S)-1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylate is O=C([O-])[C@@H]1Cc2ccccc2N1C(=O)OCc1ccccc1.
What is the InChIKey of (2S)-1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylate?
The InChIKey is BSOYWTITVKXHLM-HNNXBMFYSA-M. The full InChI is InChI=1S/C17H15NO4/c19-16(20)15-10-13-8-4-5-9-14(13)18(15)17(21)22-11-12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,19,20)/p-1/t15-/m0/s1.
What are the key properties of (2S)-1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylate?
(2S)-1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylate has a molecular weight of 296.30 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylate is sourced from PubChem (CID 6932063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).