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

C15H16N2O4 — CID 66434575

IUPAC2-[4-(1H-indole-4-carbonyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)c2cccc3[nH]ccc23)CCO1
InChIInChI=1S/C15H16N2O4/c18-14(19)8-10-9-17(6-7-21-10)15(20)12-2-1-3-13-11(12)4-5-16-13/h1-5,10,16H,6-9H2,(H,18,19)
InChIKeyZRZIRVAYEREGTA-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.48
Rot. Bonds3

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

2-[4-(1H-indole-4-carbonyl)morpholin-2-yl]acetic acid (PubChem CID 66434575) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-[4-(1H-indole-4-carbonyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(1H-indole-4-carbonyl)morpholin-2-yl]acetic acid
PubChem CID66434575
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name2-[4-(1H-indole-4-carbonyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)c2cccc3[nH]ccc23)CCO1
InChIInChI=1S/C15H16N2O4/c18-14(19)8-10-9-17(6-7-21-10)15(20)12-2-1-3-13-11(12)4-5-16-13/h1-5,10,16H,6-9H2,(H,18,19)
InChIKeyZRZIRVAYEREGTA-UHFFFAOYSA-N
XLogP1.48
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-ethylmorpholin-4-yl)-(1H-indol-4-yl)methanone
CID 43582924
1H-indol-4-yl-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62968875
2-[4-(2-ethoxy-3-fluorobenzoyl)morpholin-2-yl]acetic acid
CID 119247688
2-[4-(3-bromo-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 66434767
2-[4-(2-methylquinoline-8-carbonyl)morpholin-2-yl]acetic acid
CID 120527700
2-[4-(2-nitrobenzoyl)morpholin-2-yl]acetic acid
CID 66421162
2-[(2S)-4-[2-(2-phenylethyl)benzoyl]morpholin-2-yl]acetic acid
CID 124702643
2-[(2R)-4-(2-pyrazol-1-ylbenzoyl)morpholin-2-yl]acetic acid
CID 124704985
azepan-1-yl(1H-indol-4-yl)methanone
CID 43582350
2-[4-(2-ethylsulfonylbenzoyl)morpholin-2-yl]acetic acid
CID 119248776
(3-aminoazetidin-1-yl)-(1H-indol-4-yl)methanone
CID 65245171
2-[4-(2,5-dihydroxybenzoyl)morpholin-2-yl]acetic acid
CID 107721729

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-indole-4-carbonyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(1H-indole-4-carbonyl)morpholin-2-yl]acetic acid (CID 66434575) is 2-[4-(1H-indole-4-carbonyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(1H-indole-4-carbonyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(1H-indole-4-carbonyl)morpholin-2-yl]acetic acid is O=C(O)CC1CN(C(=O)c2cccc3[nH]ccc23)CCO1.
What is the InChIKey of 2-[4-(1H-indole-4-carbonyl)morpholin-2-yl]acetic acid?
The InChIKey is ZRZIRVAYEREGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c18-14(19)8-10-9-17(6-7-21-10)15(20)12-2-1-3-13-11(12)4-5-16-13/h1-5,10,16H,6-9H2,(H,18,19).
What are the key properties of 2-[4-(1H-indole-4-carbonyl)morpholin-2-yl]acetic acid?
2-[4-(1H-indole-4-carbonyl)morpholin-2-yl]acetic acid has a molecular weight of 288.30 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-indole-4-carbonyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 66434575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).