2-[4-(2-methylpropanoylamino)indol-1-yl]acetic acid

C14H16N2O3 — CID 154846912

IUPAC2-[4-(2-methylpropanoylamino)indol-1-yl]acetic acid
SMILESCC(C)C(=O)Nc1cccc2c1ccn2CC(=O)O
InChIInChI=1S/C14H16N2O3/c1-9(2)14(19)15-11-4-3-5-12-10(11)6-7-16(12)8-13(17)18/h3-7,9H,8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyCUTXIOZDWTWUIS-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.32
Rot. Bonds4

About 2-[4-(2-methylpropanoylamino)indol-1-yl]acetic acid

2-[4-(2-methylpropanoylamino)indol-1-yl]acetic acid (PubChem CID 154846912) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[4-(2-methylpropanoylamino)indol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-methylpropanoylamino)indol-1-yl]acetic acid
PubChem CID154846912
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-[4-(2-methylpropanoylamino)indol-1-yl]acetic acid
SMILESCC(C)C(=O)Nc1cccc2c1ccn2CC(=O)O
InChIInChI=1S/C14H16N2O3/c1-9(2)14(19)15-11-4-3-5-12-10(11)6-7-16(12)8-13(17)18/h3-7,9H,8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyCUTXIOZDWTWUIS-UHFFFAOYSA-N
XLogP2.32
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)indol-1-yl]acetic acid
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CID 121240638
2-(4-ethoxyindol-1-yl)acetic acid
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2-(4-cyanoindol-1-yl)acetic acid
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2-(4-acetamidoindol-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 71827899
2-(4-acetamidoindol-1-yl)-N-(3-acetylphenyl)acetamide
CID 71828766
N-[1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]indol-4-yl]acetamide
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2-[3-[(propan-2-ylamino)methyl]indol-1-yl]acetic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropanoylamino)indol-1-yl]acetic acid?
The IUPAC name of 2-[4-(2-methylpropanoylamino)indol-1-yl]acetic acid (CID 154846912) is 2-[4-(2-methylpropanoylamino)indol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-methylpropanoylamino)indol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2-methylpropanoylamino)indol-1-yl]acetic acid is CC(C)C(=O)Nc1cccc2c1ccn2CC(=O)O.
What is the InChIKey of 2-[4-(2-methylpropanoylamino)indol-1-yl]acetic acid?
The InChIKey is CUTXIOZDWTWUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9(2)14(19)15-11-4-3-5-12-10(11)6-7-16(12)8-13(17)18/h3-7,9H,8H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-[4-(2-methylpropanoylamino)indol-1-yl]acetic acid?
2-[4-(2-methylpropanoylamino)indol-1-yl]acetic acid has a molecular weight of 260.29 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropanoylamino)indol-1-yl]acetic acid is sourced from PubChem (CID 154846912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).