2-[4-(4,6-dimethyl-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid

C17H20N2O4 — CID 119248179

IUPAC2-[4-(4,6-dimethyl-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid
SMILESCc1cc(C)c2cc(C(=O)N3CCOC(CC(=O)O)C3)[nH]c2c1
InChIInChI=1S/C17H20N2O4/c1-10-5-11(2)13-8-15(18-14(13)6-10)17(22)19-3-4-23-12(9-19)7-16(20)21/h5-6,8,12,18H,3-4,7,9H2,1-2H3,(H,20,21)
InChIKeyOVYXJCLZUOQBRP-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.10
Rot. Bonds3

About 2-[4-(4,6-dimethyl-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid

2-[4-(4,6-dimethyl-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid (PubChem CID 119248179) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-[4-(4,6-dimethyl-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4,6-dimethyl-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid
PubChem CID119248179
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name2-[4-(4,6-dimethyl-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid
SMILESCc1cc(C)c2cc(C(=O)N3CCOC(CC(=O)O)C3)[nH]c2c1
InChIInChI=1S/C17H20N2O4/c1-10-5-11(2)13-8-15(18-14(13)6-10)17(22)19-3-4-23-12(9-19)7-16(20)21/h5-6,8,12,18H,3-4,7,9H2,1-2H3,(H,20,21)
InChIKeyOVYXJCLZUOQBRP-UHFFFAOYSA-N
XLogP2.10
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-4-(6-fluoro-4-methyl-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid
CID 124695833
4-(4,6-dimethyl-1H-indole-2-carbonyl)morpholine-2-carboxylic acid
CID 119239311
(2S)-4-(4,6-dimethyl-1H-indole-2-carbonyl)morpholine-2-carboxylic acid
CID 124694567
(2R)-4-(4,6-dimethyl-1H-indole-2-carbonyl)morpholine-2-carboxylic acid
CID 124694565
2-[4-(5-fluoro-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid
CID 119248354
2-[(2R)-4-(2,5-difluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 124695384
(4,6-dimethyl-1H-indol-2-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39581120
2-[4-(4-bromo-1H-pyrrole-2-carbonyl)morpholin-2-yl]acetic acid
CID 66421761
2-[4-(3,4-dimethylbenzoyl)morpholin-2-yl]acetic acid
CID 66433602
2-[4-(3-fluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 66421551
2-[4-(5-methyl-1H-pyrazole-3-carbonyl)morpholin-2-yl]acetic acid
CID 66421759
2-[4-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrole-3-carbonyl]morpholin-2-yl]acetic acid
CID 119248444

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,6-dimethyl-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(4,6-dimethyl-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid (CID 119248179) is 2-[4-(4,6-dimethyl-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(4,6-dimethyl-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(4,6-dimethyl-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid is Cc1cc(C)c2cc(C(=O)N3CCOC(CC(=O)O)C3)[nH]c2c1.
What is the InChIKey of 2-[4-(4,6-dimethyl-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid?
The InChIKey is OVYXJCLZUOQBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-10-5-11(2)13-8-15(18-14(13)6-10)17(22)19-3-4-23-12(9-19)7-16(20)21/h5-6,8,12,18H,3-4,7,9H2,1-2H3,(H,20,21).
What are the key properties of 2-[4-(4,6-dimethyl-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid?
2-[4-(4,6-dimethyl-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid has a molecular weight of 316.36 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,6-dimethyl-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 119248179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).