(2S)-1-(morpholine-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid

C14H16N2O4 — CID 61187329

IUPAC(2S)-1-(morpholine-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)[C@@H]1Cc2ccccc2N1C(=O)N1CCOCC1
InChIInChI=1S/C14H16N2O4/c17-13(18)12-9-10-3-1-2-4-11(10)16(12)14(19)15-5-7-20-8-6-15/h1-4,12H,5-9H2,(H,17,18)/t12-/m0/s1
InChIKeyPUHZPZWTEUNLMD-LBPRGKRZSA-N
MW276.29 g/mol
LogP0.95
Rot. Bonds1

About (2S)-1-(morpholine-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid

(2S)-1-(morpholine-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid (PubChem CID 61187329) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is (2S)-1-(morpholine-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(morpholine-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid
PubChem CID61187329
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name(2S)-1-(morpholine-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)[C@@H]1Cc2ccccc2N1C(=O)N1CCOCC1
InChIInChI=1S/C14H16N2O4/c17-13(18)12-9-10-3-1-2-4-11(10)16(12)14(19)15-5-7-20-8-6-15/h1-4,12H,5-9H2,(H,17,18)/t12-/m0/s1
InChIKeyPUHZPZWTEUNLMD-LBPRGKRZSA-N
XLogP0.95
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-1-(morpholine-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-cyclopentylpiperazine-1-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 174565327
(1-benzoyl-2,3-dihydroindol-2-yl)-morpholin-4-ylmethanone
CID 20954563
1-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 114411873
1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771
1-(2-morpholin-4-ylethyl)-2,3-dihydroindole-2-carboxylic acid
CID 80566919
(2S)-1-(oxane-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 62760682
1-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 43106825
(2S)-1-(oxolane-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 61143791
(2S)-1-(2-methylcyclopropanecarbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 61143649
(2S)-1-(2-chloroacetyl)-2,3-dihydroindole-2-carboxylic acid
CID 70127349
1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone
CID 41325271
(2S)-1-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2,3-dihydroindole-2-carboxylic acid
CID 61409734

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(morpholine-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of (2S)-1-(morpholine-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid (CID 61187329) is (2S)-1-(morpholine-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(morpholine-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for (2S)-1-(morpholine-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid is O=C(O)[C@@H]1Cc2ccccc2N1C(=O)N1CCOCC1.
What is the InChIKey of (2S)-1-(morpholine-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is PUHZPZWTEUNLMD-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H16N2O4/c17-13(18)12-9-10-3-1-2-4-11(10)16(12)14(19)15-5-7-20-8-6-15/h1-4,12H,5-9H2,(H,17,18)/t12-/m0/s1.
What are the key properties of (2S)-1-(morpholine-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid?
(2S)-1-(morpholine-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 276.29 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(morpholine-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 61187329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).