(3R)-1-[(2R)-2-phenylmethoxypropanoyl]-2,3-dihydroindole-3-carboxylic acid

C19H19NO4 — CID 125140823

IUPAC(3R)-1-[(2R)-2-phenylmethoxypropanoyl]-2,3-dihydroindole-3-carboxylic acid
SMILESC[C@@H](OCc1ccccc1)C(=O)N1C[C@H](C(=O)O)c2ccccc21
InChIInChI=1S/C19H19NO4/c1-13(24-12-14-7-3-2-4-8-14)18(21)20-11-16(19(22)23)15-9-5-6-10-17(15)20/h2-10,13,16H,11-12H2,1H3,(H,22,23)/t13-,16+/m1/s1
InChIKeyDUCRRYROWPKHSN-CJNGLKHVSA-N
MW325.36 g/mol
LogP2.81
Rot. Bonds5

About (3R)-1-[(2R)-2-phenylmethoxypropanoyl]-2,3-dihydroindole-3-carboxylic acid

(3R)-1-[(2R)-2-phenylmethoxypropanoyl]-2,3-dihydroindole-3-carboxylic acid (PubChem CID 125140823) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is (3R)-1-[(2R)-2-phenylmethoxypropanoyl]-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[(2R)-2-phenylmethoxypropanoyl]-2,3-dihydroindole-3-carboxylic acid
PubChem CID125140823
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name(3R)-1-[(2R)-2-phenylmethoxypropanoyl]-2,3-dihydroindole-3-carboxylic acid
SMILESC[C@@H](OCc1ccccc1)C(=O)N1C[C@H](C(=O)O)c2ccccc21
InChIInChI=1S/C19H19NO4/c1-13(24-12-14-7-3-2-4-8-14)18(21)20-11-16(19(22)23)15-9-5-6-10-17(15)20/h2-10,13,16H,11-12H2,1H3,(H,22,23)/t13-,16+/m1/s1
InChIKeyDUCRRYROWPKHSN-CJNGLKHVSA-N
XLogP2.81
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2R)-2-phenylmethoxypropanoyl]-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of (3R)-1-[(2R)-2-phenylmethoxypropanoyl]-2,3-dihydroindole-3-carboxylic acid (CID 125140823) is (3R)-1-[(2R)-2-phenylmethoxypropanoyl]-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[(2R)-2-phenylmethoxypropanoyl]-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for (3R)-1-[(2R)-2-phenylmethoxypropanoyl]-2,3-dihydroindole-3-carboxylic acid is C[C@@H](OCc1ccccc1)C(=O)N1C[C@H](C(=O)O)c2ccccc21.
What is the InChIKey of (3R)-1-[(2R)-2-phenylmethoxypropanoyl]-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is DUCRRYROWPKHSN-CJNGLKHVSA-N. The full InChI is InChI=1S/C19H19NO4/c1-13(24-12-14-7-3-2-4-8-14)18(21)20-11-16(19(22)23)15-9-5-6-10-17(15)20/h2-10,13,16H,11-12H2,1H3,(H,22,23)/t13-,16+/m1/s1.
What are the key properties of (3R)-1-[(2R)-2-phenylmethoxypropanoyl]-2,3-dihydroindole-3-carboxylic acid?
(3R)-1-[(2R)-2-phenylmethoxypropanoyl]-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 325.36 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2R)-2-phenylmethoxypropanoyl]-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 125140823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).