2-[[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]-methylamino]propanoic acid

C18H24N2O4 — CID 119209526

IUPAC2-[[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]-methylamino]propanoic acid
SMILESCOCCn1c(C)c(C)c2cc(C(=O)N(C)C(C)C(=O)O)ccc21
InChIInChI=1S/C18H24N2O4/c1-11-12(2)20(8-9-24-5)16-7-6-14(10-15(11)16)17(21)19(4)13(3)18(22)23/h6-7,10,13H,8-9H2,1-5H3,(H,22,23)
InChIKeyDRFSMOKKWQLZSZ-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.45
Rot. Bonds6

About 2-[[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]-methylamino]propanoic acid

2-[[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]-methylamino]propanoic acid (PubChem CID 119209526) 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]-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]-methylamino]propanoic acid
PubChem CID119209526
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name2-[[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]-methylamino]propanoic acid
SMILESCOCCn1c(C)c(C)c2cc(C(=O)N(C)C(C)C(=O)O)ccc21
InChIInChI=1S/C18H24N2O4/c1-11-12(2)20(8-9-24-5)16-7-6-14(10-15(11)16)17(21)19(4)13(3)18(22)23/h6-7,10,13H,8-9H2,1-5H3,(H,22,23)
InChIKeyDRFSMOKKWQLZSZ-UHFFFAOYSA-N
XLogP2.45
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[cyclopropyl-[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]amino]propanoic acid
CID 119203397
3-[[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]-propan-2-ylamino]propanoic acid
CID 119207661
(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]butanoic acid
CID 119224087
5-[[[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222680
2-[[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]amino]-2-methylpropanoic acid
CID 86779598
2,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indole-5-carboxylic acid
CID 115942933
(2S)-4-[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]morpholine-2-carboxylic acid
CID 125120774
1-[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]-2,3-dihydroindole-3-carboxylic acid
CID 120691158
2-[4-[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]morpholin-2-yl]acetic acid
CID 119248844
2-[(3,4-dimethylbenzoyl)-methylamino]propanoic acid
CID 62628336
[4-[(R)-hydroxy(1H-imidazol-2-yl)methyl]piperidin-1-yl]-[1-(2-methoxyethyl)-2,3-dimethylindol-5-yl]methanone
CID 99791335

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]-methylamino]propanoic acid?
The IUPAC name of 2-[[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]-methylamino]propanoic acid (CID 119209526) is 2-[[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]-methylamino]propanoic acid.
What is the SMILES notation for 2-[[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]-methylamino]propanoic acid?
The canonical SMILES for 2-[[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]-methylamino]propanoic acid is COCCn1c(C)c(C)c2cc(C(=O)N(C)C(C)C(=O)O)ccc21.
What is the InChIKey of 2-[[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]-methylamino]propanoic acid?
The InChIKey is DRFSMOKKWQLZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-11-12(2)20(8-9-24-5)16-7-6-14(10-15(11)16)17(21)19(4)13(3)18(22)23/h6-7,10,13H,8-9H2,1-5H3,(H,22,23).
What are the key properties of 2-[[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]-methylamino]propanoic acid?
2-[[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]-methylamino]propanoic acid has a molecular weight of 332.40 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 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]-methylamino]propanoic acid is sourced from PubChem (CID 119209526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).