(2R)-4-(3-indol-1-ylpropanoyl)morpholine-2-carboxylic acid

C16H18N2O4 — CID 124703983

IUPAC(2R)-4-(3-indol-1-ylpropanoyl)morpholine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)CCn2ccc3ccccc32)CCO1
InChIInChI=1S/C16H18N2O4/c19-15(18-9-10-22-14(11-18)16(20)21)6-8-17-7-5-12-3-1-2-4-13(12)17/h1-5,7,14H,6,8-11H2,(H,20,21)/t14-/m1/s1
InChIKeyBYEGFBZYCVZLAB-CQSZACIVSA-N
MW302.33 g/mol
LogP1.34
Rot. Bonds4

About (2R)-4-(3-indol-1-ylpropanoyl)morpholine-2-carboxylic acid

(2R)-4-(3-indol-1-ylpropanoyl)morpholine-2-carboxylic acid (PubChem CID 124703983) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is (2R)-4-(3-indol-1-ylpropanoyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-(3-indol-1-ylpropanoyl)morpholine-2-carboxylic acid
PubChem CID124703983
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name(2R)-4-(3-indol-1-ylpropanoyl)morpholine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)CCn2ccc3ccccc32)CCO1
InChIInChI=1S/C16H18N2O4/c19-15(18-9-10-22-14(11-18)16(20)21)6-8-17-7-5-12-3-1-2-4-13(12)17/h1-5,7,14H,6,8-11H2,(H,20,21)/t14-/m1/s1
InChIKeyBYEGFBZYCVZLAB-CQSZACIVSA-N
XLogP1.34
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-(3-indol-1-ylpropanoyl)morpholine-2-carboxylic acid?
The IUPAC name of (2R)-4-(3-indol-1-ylpropanoyl)morpholine-2-carboxylic acid (CID 124703983) is (2R)-4-(3-indol-1-ylpropanoyl)morpholine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-(3-indol-1-ylpropanoyl)morpholine-2-carboxylic acid?
The canonical SMILES for (2R)-4-(3-indol-1-ylpropanoyl)morpholine-2-carboxylic acid is O=C(O)[C@H]1CN(C(=O)CCn2ccc3ccccc32)CCO1.
What is the InChIKey of (2R)-4-(3-indol-1-ylpropanoyl)morpholine-2-carboxylic acid?
The InChIKey is BYEGFBZYCVZLAB-CQSZACIVSA-N. The full InChI is InChI=1S/C16H18N2O4/c19-15(18-9-10-22-14(11-18)16(20)21)6-8-17-7-5-12-3-1-2-4-13(12)17/h1-5,7,14H,6,8-11H2,(H,20,21)/t14-/m1/s1.
What are the key properties of (2R)-4-(3-indol-1-ylpropanoyl)morpholine-2-carboxylic acid?
(2R)-4-(3-indol-1-ylpropanoyl)morpholine-2-carboxylic acid has a molecular weight of 302.33 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(3-indol-1-ylpropanoyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 124703983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).