methyl 4-methyl-2-[(1-methylindol-3-yl)methylamino]pentanoate

C17H24N2O2 — CID 65067382

IUPACmethyl 4-methyl-2-[(1-methylindol-3-yl)methylamino]pentanoate
SMILESCOC(=O)C(CC(C)C)NCc1cn(C)c2ccccc12
InChIInChI=1S/C17H24N2O2/c1-12(2)9-15(17(20)21-4)18-10-13-11-19(3)16-8-6-5-7-14(13)16/h5-8,11-12,15,18H,9-10H2,1-4H3
InChIKeyOEIDPPYPYJVWAN-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.86
Rot. Bonds6

About methyl 4-methyl-2-[(1-methylindol-3-yl)methylamino]pentanoate

methyl 4-methyl-2-[(1-methylindol-3-yl)methylamino]pentanoate (PubChem CID 65067382) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is methyl 4-methyl-2-[(1-methylindol-3-yl)methylamino]pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[(1-methylindol-3-yl)methylamino]pentanoate
PubChem CID65067382
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Namemethyl 4-methyl-2-[(1-methylindol-3-yl)methylamino]pentanoate
SMILESCOC(=O)C(CC(C)C)NCc1cn(C)c2ccccc12
InChIInChI=1S/C17H24N2O2/c1-12(2)9-15(17(20)21-4)18-10-13-11-19(3)16-8-6-5-7-14(13)16/h5-8,11-12,15,18H,9-10H2,1-4H3
InChIKeyOEIDPPYPYJVWAN-UHFFFAOYSA-N
XLogP2.86
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-methylindol-3-yl)methylamino]pentanoic acid
CID 65054985
methyl (2R)-2-[(2-methoxyphenyl)methylamino]-4-methylpentanoate
CID 101125242
N-(2-methoxyethyl)-2-[(1-methylindol-3-yl)methylamino]propanamide
CID 107236148
methyl 2-formyl-3-(1-methylindol-3-yl)propanoate
CID 123858693
3-amino-2-methyl-N-[(1-methylindol-3-yl)methyl]propanamide
CID 115153662
2-[[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]methyl]benzoic acid
CID 103245773
N-[(1-methylindol-3-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 115158236
(2S)-3-(1H-indol-3-yl)-2-[(1-methylindol-3-yl)methylamino]propanoic acid
CID 124815638
3-methoxy-2-[(1-methylindol-3-yl)methylamino]propan-1-ol
CID 106187372
2-(1-methylindol-3-yl)-N-propan-2-ylacetamide
CID 13010552
methyl 2-[(2-hydroxy-3-methylphenyl)methylamino]-4-methylpentanoate
CID 112606468
methyl 2-(1-methylindol-3-yl)propanoate
CID 11117483

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[(1-methylindol-3-yl)methylamino]pentanoate?
The IUPAC name of methyl 4-methyl-2-[(1-methylindol-3-yl)methylamino]pentanoate (CID 65067382) is methyl 4-methyl-2-[(1-methylindol-3-yl)methylamino]pentanoate.
What is the SMILES notation for methyl 4-methyl-2-[(1-methylindol-3-yl)methylamino]pentanoate?
The canonical SMILES for methyl 4-methyl-2-[(1-methylindol-3-yl)methylamino]pentanoate is COC(=O)C(CC(C)C)NCc1cn(C)c2ccccc12.
What is the InChIKey of methyl 4-methyl-2-[(1-methylindol-3-yl)methylamino]pentanoate?
The InChIKey is OEIDPPYPYJVWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12(2)9-15(17(20)21-4)18-10-13-11-19(3)16-8-6-5-7-14(13)16/h5-8,11-12,15,18H,9-10H2,1-4H3.
What are the key properties of methyl 4-methyl-2-[(1-methylindol-3-yl)methylamino]pentanoate?
methyl 4-methyl-2-[(1-methylindol-3-yl)methylamino]pentanoate has a molecular weight of 288.39 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[(1-methylindol-3-yl)methylamino]pentanoate is sourced from PubChem (CID 65067382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).