2-[[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]amino]butanoic acid

C18H24N2O4 — CID 119224087

IUPAC2-[[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]amino]butanoic acid
SMILESCCC(NC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC)C(=O)O
InChIInChI=1S/C18H24N2O4/c1-5-15(18(22)23)19-17(21)13-6-7-16-14(10-13)11(2)12(3)20(16)8-9-24-4/h6-7,10,15H,5,8-9H2,1-4H3,(H,19,21)(H,22,23)
InChIKeyRABWOXCKLRFZAJ-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.50
Rot. Bonds7

About 2-[[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]amino]butanoic acid

2-[[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]amino]butanoic acid (PubChem CID 119224087) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-[[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]amino]butanoic acid
PubChem CID119224087
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name2-[[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]amino]butanoic acid
SMILESCCC(NC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC)C(=O)O
InChIInChI=1S/C18H24N2O4/c1-5-15(18(22)23)19-17(21)13-6-7-16-14(10-13)11(2)12(3)20(16)8-9-24-4/h6-7,10,15H,5,8-9H2,1-4H3,(H,19,21)(H,22,23)
InChIKeyRABWOXCKLRFZAJ-UHFFFAOYSA-N
XLogP2.50
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(2S,3S)-2-[[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]amino]-3-methylpentanoic acid
CID 119194363
2-[[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]amino]-2-methylpropanoic acid
CID 86779598
2-[[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]-methylamino]propanoic acid
CID 119209526
3-[[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]-propan-2-ylamino]propanoic acid
CID 119207661
2-[cyclopropyl-[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]amino]propanoic acid
CID 119203397
2,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indole-5-carboxylic acid
CID 115942933
2-[(1,5-diethyl-3-methylindole-2-carbonyl)amino]butanoic acid
CID 110497523
1-[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]-2,3-dihydroindole-3-carboxylic acid
CID 120691158
(2S)-2-[(3,4-difluorobenzoyl)amino]butanoic acid
CID 42255214
2-[(1-methylbenzotriazole-5-carbonyl)amino]butanoic acid
CID 119223248
(2S)-4-[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]morpholine-2-carboxylic acid
CID 125120774
1-ethyl-2,3-dimethyl-N-(4-phenylbutan-2-yl)indole-5-carboxamide
CID 20940085

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]amino]butanoic acid?
The IUPAC name of 2-[[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]amino]butanoic acid (CID 119224087) is 2-[[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]amino]butanoic acid.
What is the SMILES notation for 2-[[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]amino]butanoic acid?
The canonical SMILES for 2-[[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]amino]butanoic acid is CCC(NC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC)C(=O)O.
What is the InChIKey of 2-[[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]amino]butanoic acid?
The InChIKey is RABWOXCKLRFZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-5-15(18(22)23)19-17(21)13-6-7-16-14(10-13)11(2)12(3)20(16)8-9-24-4/h6-7,10,15H,5,8-9H2,1-4H3,(H,19,21)(H,22,23).
What are the key properties of 2-[[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]amino]butanoic acid?
2-[[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]amino]butanoic acid has a molecular weight of 332.40 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]amino]butanoic acid is sourced from PubChem (CID 119224087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).