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

C17H14NO4- — CID 6932061

IUPAC(2R)-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-/m1/s1
InChIKeyBSOYWTITVKXHLM-OAHLLOKOSA-M
MW296.30 g/mol
LogP1.50
Rot. Bonds3

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

(2R)-1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylate (PubChem CID 6932061) has the molecular formula C17H14NO4- and a molecular weight of 296.30 g/mol. Its IUPAC name is (2R)-1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylate.

Molecular Properties

Compound Name(2R)-1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylate
PubChem CID6932061
Molecular FormulaC17H14NO4-
Molecular Weight296.30 g/mol
Exact Mass296.09
IUPAC Name(2R)-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-/m1/s1
InChIKeyBSOYWTITVKXHLM-OAHLLOKOSA-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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Related Compounds

Phenylmethyl 2,3-dihydro-1H-indole-1-carboxylate
CID 4935693
(2R)-1-[(benzyloxy)carbonyl]-2,3-dihydro-1H-indole-2-carboxylic acid
CID 6932062
(2S)-1-[(4R)-4-carboxy-4-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 44317024
benzyl 1-acetyl-2-benzyl-3H-indole-2-carboxylate
CID 70689983
(2S)-1-[(benzyloxy)carbonyl]-2,3-dihydro-1H-indole-2-carboxylic acid
CID 6932064
2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl benzoate
CID 1088631
1-(4-Benzyloxycarbonylamino-4-carboxy-butyryl)-2,3-dihydro-1H-indole-2-carboxylic acid 3-dimethylamino-propyl ester
CID 13937797
1-(4-Benzyloxycarbonylamino-4-carboxy-butyryl)-2,3-dihydro-1H-indole-2-carboxylic acid 2-dimethylamino-ethyl ester
CID 13937823
sodium (2S)-1-[3-[(3R)-2-oxo-4-phenylmethoxycarbonylmorpholin-3-yl]propanoyl]-2,3-dihydroindole-2-carboxylate
CID 44287683
1-[4-(2,6-Bis-benzyloxycarbonylamino-hexanoylamino)-4-carboxy-butyryl]-2,3-dihydro-1H-indole-2-carboxylic acid
CID 44287914
2-Benzyloxycarbonylamino-5-(2-carbamoyl-2,3-dihydro-indol-1-yl)-5-oxo-pentanoic acid
CID 44287988
(R)-benzyl 2-((S)-2-formylpyrrolidine-1-carbonyl)indoline-1-carboxylate
CID 46889303

Frequently Asked Questions

What is the IUPAC name of (2R)-1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylate?
The IUPAC name of (2R)-1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylate (CID 6932061) is (2R)-1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylate.
What is the SMILES notation for (2R)-1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylate?
The canonical SMILES for (2R)-1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylate is O=C([O-])[C@H]1Cc2ccccc2N1C(=O)OCc1ccccc1.
What is the InChIKey of (2R)-1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylate?
The InChIKey is BSOYWTITVKXHLM-OAHLLOKOSA-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-/m1/s1.
What are the key properties of (2R)-1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylate?
(2R)-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 (2R)-1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylate is sourced from PubChem (CID 6932061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).