(3S)-4-[2-(6-chloroindol-1-yl)acetyl]morpholine-3-carboxylic acid

C15H15ClN2O4 — CID 125119285

IUPAC(3S)-4-[2-(6-chloroindol-1-yl)acetyl]morpholine-3-carboxylic acid
SMILESO=C(O)[C@@H]1COCCN1C(=O)Cn1ccc2ccc(Cl)cc21
InChIInChI=1S/C15H15ClN2O4/c16-11-2-1-10-3-4-17(12(10)7-11)8-14(19)18-5-6-22-9-13(18)15(20)21/h1-4,7,13H,5-6,8-9H2,(H,20,21)/t13-/m0/s1
InChIKeyHLHKJFOPUGIXCA-ZDUSSCGKSA-N
MW322.75 g/mol
LogP1.61
Rot. Bonds3

About (3S)-4-[2-(6-chloroindol-1-yl)acetyl]morpholine-3-carboxylic acid

(3S)-4-[2-(6-chloroindol-1-yl)acetyl]morpholine-3-carboxylic acid (PubChem CID 125119285) has the molecular formula C15H15ClN2O4 and a molecular weight of 322.75 g/mol. Its IUPAC name is (3S)-4-[2-(6-chloroindol-1-yl)acetyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-4-[2-(6-chloroindol-1-yl)acetyl]morpholine-3-carboxylic acid
PubChem CID125119285
Molecular FormulaC15H15ClN2O4
Molecular Weight322.75 g/mol
Exact Mass322.07
IUPAC Name(3S)-4-[2-(6-chloroindol-1-yl)acetyl]morpholine-3-carboxylic acid
SMILESO=C(O)[C@@H]1COCCN1C(=O)Cn1ccc2ccc(Cl)cc21
InChIInChI=1S/C15H15ClN2O4/c16-11-2-1-10-3-4-17(12(10)7-11)8-14(19)18-5-6-22-9-13(18)15(20)21/h1-4,7,13H,5-6,8-9H2,(H,20,21)/t13-/m0/s1
InChIKeyHLHKJFOPUGIXCA-ZDUSSCGKSA-N
XLogP1.61
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.75
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-4-[2-(5-chloro-2-methoxyphenyl)acetyl]morpholine-3-carboxylic acid
CID 124513245
(3R)-4-[2-(4-chlorophenoxy)acetyl]morpholine-3-carboxylic acid
CID 124513443
2-(6-chloroindol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 39036168
(3S)-4-[2-(3,4-difluorophenyl)acetyl]morpholine-3-carboxylic acid
CID 124517346
(2S,4S)-1-[2-(6-chloroindol-1-yl)acetyl]-4-methoxypyrrolidine-2-carboxamide
CID 128983869
(3S)-4-[(Z)-3-(4-chlorophenyl)prop-2-enoyl]morpholine-3-carboxylic acid
CID 129407880
(3R)-1-[2-(6-chloroindol-1-yl)acetyl]pyrrolidine-3-carboxamide
CID 94467337
2-(6-chloroindol-1-yl)-1-cyclopentylethanone
CID 104751262
(3R)-4-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]morpholine-3-carboxylic acid
CID 125119510
1-[2-(6-chloroindol-1-yl)acetyl]-N-cyclopropylpiperidine-4-carboxamide
CID 71887294
4-[3-(2,4-dichlorophenyl)-2-methylpropanoyl]morpholine-3-carboxylic acid
CID 119216451
4-[(4-chloro-2-methylphenyl)methyl]morpholine-3-carboxylic acid
CID 114076020

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[2-(6-chloroindol-1-yl)acetyl]morpholine-3-carboxylic acid?
The IUPAC name of (3S)-4-[2-(6-chloroindol-1-yl)acetyl]morpholine-3-carboxylic acid (CID 125119285) is (3S)-4-[2-(6-chloroindol-1-yl)acetyl]morpholine-3-carboxylic acid.
What is the SMILES notation for (3S)-4-[2-(6-chloroindol-1-yl)acetyl]morpholine-3-carboxylic acid?
The canonical SMILES for (3S)-4-[2-(6-chloroindol-1-yl)acetyl]morpholine-3-carboxylic acid is O=C(O)[C@@H]1COCCN1C(=O)Cn1ccc2ccc(Cl)cc21.
What is the InChIKey of (3S)-4-[2-(6-chloroindol-1-yl)acetyl]morpholine-3-carboxylic acid?
The InChIKey is HLHKJFOPUGIXCA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H15ClN2O4/c16-11-2-1-10-3-4-17(12(10)7-11)8-14(19)18-5-6-22-9-13(18)15(20)21/h1-4,7,13H,5-6,8-9H2,(H,20,21)/t13-/m0/s1.
What are the key properties of (3S)-4-[2-(6-chloroindol-1-yl)acetyl]morpholine-3-carboxylic acid?
(3S)-4-[2-(6-chloroindol-1-yl)acetyl]morpholine-3-carboxylic acid has a molecular weight of 322.75 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[2-(6-chloroindol-1-yl)acetyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 125119285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).