(2S)-4-[2-(2,3-dihydroindol-1-yl)acetyl]morpholine-2-carboxamide

C15H19N3O3 — CID 94369976

IUPAC(2S)-4-[2-(2,3-dihydroindol-1-yl)acetyl]morpholine-2-carboxamide
SMILESNC(=O)[C@@H]1CN(C(=O)CN2CCc3ccccc32)CCO1
InChIInChI=1S/C15H19N3O3/c16-15(20)13-9-18(7-8-21-13)14(19)10-17-6-5-11-3-1-2-4-12(11)17/h1-4,13H,5-10H2,(H2,16,20)/t13-/m0/s1
InChIKeyWEWRSNHPQDDBBH-ZDUSSCGKSA-N
MW289.33 g/mol
LogP-0.24
Rot. Bonds3

About (2S)-4-[2-(2,3-dihydroindol-1-yl)acetyl]morpholine-2-carboxamide

(2S)-4-[2-(2,3-dihydroindol-1-yl)acetyl]morpholine-2-carboxamide (PubChem CID 94369976) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is (2S)-4-[2-(2,3-dihydroindol-1-yl)acetyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-[2-(2,3-dihydroindol-1-yl)acetyl]morpholine-2-carboxamide
PubChem CID94369976
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name(2S)-4-[2-(2,3-dihydroindol-1-yl)acetyl]morpholine-2-carboxamide
SMILESNC(=O)[C@@H]1CN(C(=O)CN2CCc3ccccc32)CCO1
InChIInChI=1S/C15H19N3O3/c16-15(20)13-9-18(7-8-21-13)14(19)10-17-6-5-11-3-1-2-4-12(11)17/h1-4,13H,5-10H2,(H2,16,20)/t13-/m0/s1
InChIKeyWEWRSNHPQDDBBH-ZDUSSCGKSA-N
XLogP-0.24
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,3-dihydroindol-1-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 119353686
4-(2-aminoacetyl)morpholine-2-carboxamide;hydrochloride
CID 130609413
2-(2,3-dihydroindol-1-yl)acetate
CID 6935608
1-(1,4-diazepan-1-yl)-2-(2,3-dihydroindol-1-yl)ethanone;dihydrochloride
CID 119417200
4-[2-(2,3-dihydroindol-1-yl)acetyl]-1-methylpiperazin-2-one
CID 129470949
(2S)-4-[(3S)-4,4,4-trifluoro-3-phenylbutanoyl]morpholine-2-carboxamide
CID 95313146
1-cyclopropyl-2-(2,3-dihydroindol-1-yl)ethanone
CID 63912554
1-(2,3-dihydroindol-1-yl)-2-[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 9157107
2-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-methylpiperidin-1-yl)ethanone
CID 54816851
3-(2,3-dihydroindol-1-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one
CID 110105309
2-(2,3-dihydroindol-1-yl)-N'-hydroxyethanimidamide
CID 24703377
2-(2,3-dihydroindol-1-yl)-1-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanone
CID 120833506

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[2-(2,3-dihydroindol-1-yl)acetyl]morpholine-2-carboxamide?
The IUPAC name of (2S)-4-[2-(2,3-dihydroindol-1-yl)acetyl]morpholine-2-carboxamide (CID 94369976) is (2S)-4-[2-(2,3-dihydroindol-1-yl)acetyl]morpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-[2-(2,3-dihydroindol-1-yl)acetyl]morpholine-2-carboxamide?
The canonical SMILES for (2S)-4-[2-(2,3-dihydroindol-1-yl)acetyl]morpholine-2-carboxamide is NC(=O)[C@@H]1CN(C(=O)CN2CCc3ccccc32)CCO1.
What is the InChIKey of (2S)-4-[2-(2,3-dihydroindol-1-yl)acetyl]morpholine-2-carboxamide?
The InChIKey is WEWRSNHPQDDBBH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19N3O3/c16-15(20)13-9-18(7-8-21-13)14(19)10-17-6-5-11-3-1-2-4-12(11)17/h1-4,13H,5-10H2,(H2,16,20)/t13-/m0/s1.
What are the key properties of (2S)-4-[2-(2,3-dihydroindol-1-yl)acetyl]morpholine-2-carboxamide?
(2S)-4-[2-(2,3-dihydroindol-1-yl)acetyl]morpholine-2-carboxamide has a molecular weight of 289.33 g/mol, XLogP of -0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[2-(2,3-dihydroindol-1-yl)acetyl]morpholine-2-carboxamide is sourced from PubChem (CID 94369976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).