1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]indole-2-carboxylic acid

C15H18N2O3 — CID 28600095

IUPAC1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]indole-2-carboxylic acid
SMILESCC(C)N(C)C(=O)Cn1c(C(=O)O)cc2ccccc21
InChIInChI=1S/C15H18N2O3/c1-10(2)16(3)14(18)9-17-12-7-5-4-6-11(12)8-13(17)15(19)20/h4-8,10H,9H2,1-3H3,(H,19,20)
InChIKeyMYPBZCYBOSSTLB-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.21
Rot. Bonds4

About 1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]indole-2-carboxylic acid

1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]indole-2-carboxylic acid (PubChem CID 28600095) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]indole-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]indole-2-carboxylic acid
PubChem CID28600095
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]indole-2-carboxylic acid
SMILESCC(C)N(C)C(=O)Cn1c(C(=O)O)cc2ccccc21
InChIInChI=1S/C15H18N2O3/c1-10(2)16(3)14(18)9-17-12-7-5-4-6-11(12)8-13(17)15(19)20/h4-8,10H,9H2,1-3H3,(H,19,20)
InChIKeyMYPBZCYBOSSTLB-UHFFFAOYSA-N
XLogP2.21
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylidenebutyl)indole-2-carboxylic acid
CID 66044537
1-(2-chloroprop-2-enyl)indole-2-carboxylic acid
CID 28600062
1-(ethoxymethyl)indole-2-carboxylic acid
CID 71445591
1-[3-oxo-3-(propan-2-ylamino)propyl]indole-2-carboxylic acid
CID 62627336
1-prop-2-ynylindole-2-carboxylic acid
CID 18327565
N-methyl-2-(2-phenylindol-1-yl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 134047099
1-[[4-(methylsulfamoyl)phenyl]methyl]indole-2-carboxylic acid
CID 67665431
1-(3-chloropropyl)indole-2-carboxylic acid
CID 23510279
1-(3-fluoropropyl)indole-2-carboxylic acid
CID 81113982
1-[(8-methylnaphthalen-2-yl)methyl]indole-2-carboxylic acid
CID 23582813
2-[2-[(3-fluorophenyl)-methylcarbamoyl]indol-1-yl]acetic acid
CID 139691943
1-[(5-methyl-3-pyridinyl)methyl]indole-2-carboxylic acid
CID 102881657

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]indole-2-carboxylic acid?
The IUPAC name of 1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]indole-2-carboxylic acid (CID 28600095) is 1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]indole-2-carboxylic acid.
What is the SMILES notation for 1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]indole-2-carboxylic acid?
The canonical SMILES for 1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]indole-2-carboxylic acid is CC(C)N(C)C(=O)Cn1c(C(=O)O)cc2ccccc21.
What is the InChIKey of 1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]indole-2-carboxylic acid?
The InChIKey is MYPBZCYBOSSTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10(2)16(3)14(18)9-17-12-7-5-4-6-11(12)8-13(17)15(19)20/h4-8,10H,9H2,1-3H3,(H,19,20).
What are the key properties of 1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]indole-2-carboxylic acid?
1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]indole-2-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]indole-2-carboxylic acid is sourced from PubChem (CID 28600095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).