2-methyl-2-[methyl-[3-(7-methyl-1H-indol-3-yl)propanoyl]amino]propanoic acid

C17H22N2O3 — CID 119200885

IUPAC2-methyl-2-[methyl-[3-(7-methyl-1H-indol-3-yl)propanoyl]amino]propanoic acid
SMILESCc1cccc2c(CCC(=O)N(C)C(C)(C)C(=O)O)c[nH]c12
InChIInChI=1S/C17H22N2O3/c1-11-6-5-7-13-12(10-18-15(11)13)8-9-14(20)19(4)17(2,3)16(21)22/h5-7,10,18H,8-9H2,1-4H3,(H,21,22)
InChIKeyVVFHUSGYQGNOPD-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.73
Rot. Bonds5

About 2-methyl-2-[methyl-[3-(7-methyl-1H-indol-3-yl)propanoyl]amino]propanoic acid

2-methyl-2-[methyl-[3-(7-methyl-1H-indol-3-yl)propanoyl]amino]propanoic acid (PubChem CID 119200885) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-methyl-2-[methyl-[3-(7-methyl-1H-indol-3-yl)propanoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-[3-(7-methyl-1H-indol-3-yl)propanoyl]amino]propanoic acid
PubChem CID119200885
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name2-methyl-2-[methyl-[3-(7-methyl-1H-indol-3-yl)propanoyl]amino]propanoic acid
SMILESCc1cccc2c(CCC(=O)N(C)C(C)(C)C(=O)O)c[nH]c12
InChIInChI=1S/C17H22N2O3/c1-11-6-5-7-13-12(10-18-15(11)13)8-9-14(20)19(4)17(2,3)16(21)22/h5-7,10,18H,8-9H2,1-4H3,(H,21,22)
InChIKeyVVFHUSGYQGNOPD-UHFFFAOYSA-N
XLogP2.73
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[methyl-[3-(7-methyl-1H-indol-3-yl)propanoyl]amino]propanoic acid
CID 119233339
4-(7-methyl-1H-indol-3-yl)butan-2-one
CID 28806455
2-[2-methoxyethyl-[3-(7-methyl-1H-indol-3-yl)propanoyl]amino]acetic acid
CID 119189819
2-(7-methyl-1H-indol-3-yl)ethanamine;oxalic acid
CID 24802312
2-methyl-2-[4-[3-(7-methyl-1H-indol-3-yl)propanoylamino]phenyl]propanoic acid
CID 119254447
2-methyl-3-[3-(7-methyl-1H-indol-3-yl)propanoylamino]-2-phenylpropanoic acid
CID 120701179
2-[methyl-[2-(7-methyl-1H-indol-3-yl)acetyl]amino]acetic acid
CID 110836002
N,N-diethyl-2-(7-methyl-1H-indol-3-yl)acetamide
CID 110855149
3-methyl-2-[3-(7-methyl-1H-indol-3-yl)propanoylamino]butanoic acid
CID 119170480
7-methyl-3-(2-phenylethyl)-1H-indole
CID 174735389
2-(7-methyl-1H-indol-3-yl)ethanamine chloride
CID 53351005
4-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoylamino]butanoic acid
CID 122003467

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-[3-(7-methyl-1H-indol-3-yl)propanoyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-[3-(7-methyl-1H-indol-3-yl)propanoyl]amino]propanoic acid (CID 119200885) is 2-methyl-2-[methyl-[3-(7-methyl-1H-indol-3-yl)propanoyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-[3-(7-methyl-1H-indol-3-yl)propanoyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-[3-(7-methyl-1H-indol-3-yl)propanoyl]amino]propanoic acid is Cc1cccc2c(CCC(=O)N(C)C(C)(C)C(=O)O)c[nH]c12.
What is the InChIKey of 2-methyl-2-[methyl-[3-(7-methyl-1H-indol-3-yl)propanoyl]amino]propanoic acid?
The InChIKey is VVFHUSGYQGNOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-11-6-5-7-13-12(10-18-15(11)13)8-9-14(20)19(4)17(2,3)16(21)22/h5-7,10,18H,8-9H2,1-4H3,(H,21,22).
What are the key properties of 2-methyl-2-[methyl-[3-(7-methyl-1H-indol-3-yl)propanoyl]amino]propanoic acid?
2-methyl-2-[methyl-[3-(7-methyl-1H-indol-3-yl)propanoyl]amino]propanoic acid has a molecular weight of 302.37 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-[3-(7-methyl-1H-indol-3-yl)propanoyl]amino]propanoic acid is sourced from PubChem (CID 119200885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).