2-[(2R)-4-(6-fluoro-4-methyl-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid

C16H17FN2O4 — CID 124695833

IUPAC2-[(2R)-4-(6-fluoro-4-methyl-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid
SMILESCc1cc(F)cc2[nH]c(C(=O)N3CCO[C@H](CC(=O)O)C3)cc12
InChIInChI=1S/C16H17FN2O4/c1-9-4-10(17)5-13-12(9)7-14(18-13)16(22)19-2-3-23-11(8-19)6-15(20)21/h4-5,7,11,18H,2-3,6,8H2,1H3,(H,20,21)/t11-/m1/s1
InChIKeyRYEHTIJTLGWNMA-LLVKDONJSA-N
MW320.32 g/mol
LogP1.93
Rot. Bonds3

About 2-[(2R)-4-(6-fluoro-4-methyl-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid

2-[(2R)-4-(6-fluoro-4-methyl-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid (PubChem CID 124695833) has the molecular formula C16H17FN2O4 and a molecular weight of 320.32 g/mol. Its IUPAC name is 2-[(2R)-4-(6-fluoro-4-methyl-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-4-(6-fluoro-4-methyl-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid
PubChem CID124695833
Molecular FormulaC16H17FN2O4
Molecular Weight320.32 g/mol
Exact Mass320.12
IUPAC Name2-[(2R)-4-(6-fluoro-4-methyl-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid
SMILESCc1cc(F)cc2[nH]c(C(=O)N3CCO[C@H](CC(=O)O)C3)cc12
InChIInChI=1S/C16H17FN2O4/c1-9-4-10(17)5-13-12(9)7-14(18-13)16(22)19-2-3-23-11(8-19)6-15(20)21/h4-5,7,11,18H,2-3,6,8H2,1H3,(H,20,21)/t11-/m1/s1
InChIKeyRYEHTIJTLGWNMA-LLVKDONJSA-N
XLogP1.93
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(2R)-4-(6-fluoro-4-methyl-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid with MolForge

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Related Compounds

2-[4-(4,6-dimethyl-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid
CID 119248179
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
[(3R,4R)-3,4-diaminopyrrolidin-1-yl]-(6-fluoro-4-methyl-1H-indol-2-yl)methanone
CID 155954106
(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
4-(4,6-dimethyl-1H-indole-2-carbonyl)morpholine-2-carboxylic acid
CID 119239311
2-[4-(3-fluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 66421551
1-(6-fluoro-4-methyl-1H-indole-2-carbonyl)piperidine-4-carboxamide
CID 119135616
2-[4-[(3-fluoro-5-methylphenyl)carbamoyl]morpholin-2-yl]acetic acid
CID 79046066
2-[(2S)-4-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]morpholin-2-yl]acetic acid
CID 124695396
2-[4-(4-bromo-1H-pyrrole-2-carbonyl)morpholin-2-yl]acetic acid
CID 66421761

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-(6-fluoro-4-methyl-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2R)-4-(6-fluoro-4-methyl-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid (CID 124695833) is 2-[(2R)-4-(6-fluoro-4-methyl-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-4-(6-fluoro-4-methyl-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R)-4-(6-fluoro-4-methyl-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid is Cc1cc(F)cc2[nH]c(C(=O)N3CCO[C@H](CC(=O)O)C3)cc12.
What is the InChIKey of 2-[(2R)-4-(6-fluoro-4-methyl-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid?
The InChIKey is RYEHTIJTLGWNMA-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17FN2O4/c1-9-4-10(17)5-13-12(9)7-14(18-13)16(22)19-2-3-23-11(8-19)6-15(20)21/h4-5,7,11,18H,2-3,6,8H2,1H3,(H,20,21)/t11-/m1/s1.
What are the key properties of 2-[(2R)-4-(6-fluoro-4-methyl-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid?
2-[(2R)-4-(6-fluoro-4-methyl-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid has a molecular weight of 320.32 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-(6-fluoro-4-methyl-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 124695833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).