2-[(4,6-dimethoxy-1-methylindole-2-carbonyl)amino]-4-methylpentanoic acid

C18H24N2O5 — CID 4837794

IUPAC2-[(4,6-dimethoxy-1-methylindole-2-carbonyl)amino]-4-methylpentanoic acid
SMILESCOc1cc(OC)c2cc(C(=O)NC(CC(C)C)C(=O)O)n(C)c2c1
InChIInChI=1S/C18H24N2O5/c1-10(2)6-13(18(22)23)19-17(21)15-9-12-14(20(15)3)7-11(24-4)8-16(12)25-5/h7-10,13H,6H2,1-5H3,(H,19,21)(H,22,23)
InChIKeyFGUWQTGFAZUZGB-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.42
Rot. Bonds7

About 2-[(4,6-dimethoxy-1-methylindole-2-carbonyl)amino]-4-methylpentanoic acid

2-[(4,6-dimethoxy-1-methylindole-2-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 4837794) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-[(4,6-dimethoxy-1-methylindole-2-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[(4,6-dimethoxy-1-methylindole-2-carbonyl)amino]-4-methylpentanoic acid
PubChem CID4837794
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name2-[(4,6-dimethoxy-1-methylindole-2-carbonyl)amino]-4-methylpentanoic acid
SMILESCOc1cc(OC)c2cc(C(=O)NC(CC(C)C)C(=O)O)n(C)c2c1
InChIInChI=1S/C18H24N2O5/c1-10(2)6-13(18(22)23)19-17(21)15-9-12-14(20(15)3)7-11(24-4)8-16(12)25-5/h7-10,13H,6H2,1-5H3,(H,19,21)(H,22,23)
InChIKeyFGUWQTGFAZUZGB-UHFFFAOYSA-N
XLogP2.42
TPSA89.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(4,6-dimethoxy-1-methylindole-2-carbonyl)amino]propanoylamino]-2-phenylacetic acid
CID 4839806
4-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]pentanoic acid
CID 16772294
4,6-dimethoxy-1-methyl-N-[(2S)-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]indole-2-carboxamide
CID 29132066
4,6-dimethoxy-1-methyl-N-[1-oxo-1-(pyridin-2-ylamino)propan-2-yl]indole-2-carboxamide
CID 56737830
2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-4-methylpentanoic acid
CID 43170154
2-[[2-[(5-methoxy-1-methylindole-2-carbonyl)amino]-4-methylpentanoyl]amino]acetic acid
CID 4837910
N-[(2R)-1-(1,3-benzothiazol-2-ylamino)-1-oxopropan-2-yl]-4,6-dimethoxy-1-methylindole-2-carboxamide
CID 51819685
(2R)-2-[(3,4-dimethoxy-5-nitrobenzoyl)amino]-4-methylpentanoic acid
CID 119364743
(2S)-2-[(2-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 42255886
2-[(4-bromo-2-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 115368583
(2R)-2-[(2-fluoro-4-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 103804241
(2S)-2-[(2-amino-5-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 115412933

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethoxy-1-methylindole-2-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of 2-[(4,6-dimethoxy-1-methylindole-2-carbonyl)amino]-4-methylpentanoic acid (CID 4837794) is 2-[(4,6-dimethoxy-1-methylindole-2-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[(4,6-dimethoxy-1-methylindole-2-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[(4,6-dimethoxy-1-methylindole-2-carbonyl)amino]-4-methylpentanoic acid is COc1cc(OC)c2cc(C(=O)NC(CC(C)C)C(=O)O)n(C)c2c1.
What is the InChIKey of 2-[(4,6-dimethoxy-1-methylindole-2-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is FGUWQTGFAZUZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-10(2)6-13(18(22)23)19-17(21)15-9-12-14(20(15)3)7-11(24-4)8-16(12)25-5/h7-10,13H,6H2,1-5H3,(H,19,21)(H,22,23).
What are the key properties of 2-[(4,6-dimethoxy-1-methylindole-2-carbonyl)amino]-4-methylpentanoic acid?
2-[(4,6-dimethoxy-1-methylindole-2-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 348.40 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethoxy-1-methylindole-2-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 4837794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).