methyl 3-[methyl-[2-(2-methylindol-1-yl)acetyl]amino]propanoate

C16H20N2O3 — CID 61030565

IUPACmethyl 3-[methyl-[2-(2-methylindol-1-yl)acetyl]amino]propanoate
SMILESCOC(=O)CCN(C)C(=O)Cn1c(C)cc2ccccc21
InChIInChI=1S/C16H20N2O3/c1-12-10-13-6-4-5-7-14(13)18(12)11-15(19)17(2)9-8-16(20)21-3/h4-7,10H,8-9,11H2,1-3H3
InChIKeyZTGLNXPLQPJWLI-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.97
Rot. Bonds5

About methyl 3-[methyl-[2-(2-methylindol-1-yl)acetyl]amino]propanoate

methyl 3-[methyl-[2-(2-methylindol-1-yl)acetyl]amino]propanoate (PubChem CID 61030565) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is methyl 3-[methyl-[2-(2-methylindol-1-yl)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[methyl-[2-(2-methylindol-1-yl)acetyl]amino]propanoate
PubChem CID61030565
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Namemethyl 3-[methyl-[2-(2-methylindol-1-yl)acetyl]amino]propanoate
SMILESCOC(=O)CCN(C)C(=O)Cn1c(C)cc2ccccc21
InChIInChI=1S/C16H20N2O3/c1-12-10-13-6-4-5-7-14(13)18(12)11-15(19)17(2)9-8-16(20)21-3/h4-7,10H,8-9,11H2,1-3H3
InChIKeyZTGLNXPLQPJWLI-UHFFFAOYSA-N
XLogP1.97
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[ethyl-[2-(2-methylindol-1-yl)acetyl]amino]acetate
CID 61383658
N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyl-2-(2-methylindol-1-yl)acetamide
CID 71917845
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(2-methylindol-1-yl)acetamide
CID 9090072
methyl 3-[methyl-(2-naphthalen-2-ylacetyl)amino]propanoate
CID 61031185
propan-2-yl 2-(2-methylindol-1-yl)acetate
CID 54940863
sodium 2-(2-methylindol-1-yl)acetate
CID 18735252
N-methyl-N-[2-(2-methylindol-1-yl)ethyl]-3-pyridin-4-ylpropanamide
CID 74236302
3-methyl-1-(2-methylindol-1-yl)butan-2-one
CID 12795650
2-(2-methylindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 51238620
N-[(2S)-1-methoxypropan-2-yl]-2-(2-methylindol-1-yl)acetamide
CID 33342108
methyl 3-[(3-hydroxynaphthalene-2-carbonyl)-methylamino]propanoate
CID 61030402
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(2-methylindol-1-yl)acetamide
CID 47014489

Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl-[2-(2-methylindol-1-yl)acetyl]amino]propanoate?
The IUPAC name of methyl 3-[methyl-[2-(2-methylindol-1-yl)acetyl]amino]propanoate (CID 61030565) is methyl 3-[methyl-[2-(2-methylindol-1-yl)acetyl]amino]propanoate.
What is the SMILES notation for methyl 3-[methyl-[2-(2-methylindol-1-yl)acetyl]amino]propanoate?
The canonical SMILES for methyl 3-[methyl-[2-(2-methylindol-1-yl)acetyl]amino]propanoate is COC(=O)CCN(C)C(=O)Cn1c(C)cc2ccccc21.
What is the InChIKey of methyl 3-[methyl-[2-(2-methylindol-1-yl)acetyl]amino]propanoate?
The InChIKey is ZTGLNXPLQPJWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-12-10-13-6-4-5-7-14(13)18(12)11-15(19)17(2)9-8-16(20)21-3/h4-7,10H,8-9,11H2,1-3H3.
What are the key properties of methyl 3-[methyl-[2-(2-methylindol-1-yl)acetyl]amino]propanoate?
methyl 3-[methyl-[2-(2-methylindol-1-yl)acetyl]amino]propanoate has a molecular weight of 288.35 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl-[2-(2-methylindol-1-yl)acetyl]amino]propanoate is sourced from PubChem (CID 61030565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).