2-[3-(cyclopropanecarbonyl)indol-1-yl]acetic acid

C14H13NO3 — CID 972750

IUPAC2-[3-(cyclopropanecarbonyl)indol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(C(=O)C2CC2)c2ccccc21
InChIInChI=1S/C14H13NO3/c16-13(17)8-15-7-11(14(18)9-5-6-9)10-3-1-2-4-12(10)15/h1-4,7,9H,5-6,8H2,(H,16,17)
InChIKeyVPWSGHUZTRPPSV-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.32
Rot. Bonds4

About 2-[3-(cyclopropanecarbonyl)indol-1-yl]acetic acid

2-[3-(cyclopropanecarbonyl)indol-1-yl]acetic acid (PubChem CID 972750) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-[3-(cyclopropanecarbonyl)indol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(cyclopropanecarbonyl)indol-1-yl]acetic acid
PubChem CID972750
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name2-[3-(cyclopropanecarbonyl)indol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(C(=O)C2CC2)c2ccccc21
InChIInChI=1S/C14H13NO3/c16-13(17)8-15-7-11(14(18)9-5-6-9)10-3-1-2-4-12(10)15/h1-4,7,9H,5-6,8H2,(H,16,17)
InChIKeyVPWSGHUZTRPPSV-UHFFFAOYSA-N
XLogP2.32
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopropanecarbonyl)indol-1-yl]acetic acid?
The IUPAC name of 2-[3-(cyclopropanecarbonyl)indol-1-yl]acetic acid (CID 972750) is 2-[3-(cyclopropanecarbonyl)indol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(cyclopropanecarbonyl)indol-1-yl]acetic acid?
The canonical SMILES for 2-[3-(cyclopropanecarbonyl)indol-1-yl]acetic acid is O=C(O)Cn1cc(C(=O)C2CC2)c2ccccc21.
What is the InChIKey of 2-[3-(cyclopropanecarbonyl)indol-1-yl]acetic acid?
The InChIKey is VPWSGHUZTRPPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c16-13(17)8-15-7-11(14(18)9-5-6-9)10-3-1-2-4-12(10)15/h1-4,7,9H,5-6,8H2,(H,16,17).
What are the key properties of 2-[3-(cyclopropanecarbonyl)indol-1-yl]acetic acid?
2-[3-(cyclopropanecarbonyl)indol-1-yl]acetic acid has a molecular weight of 243.26 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropanecarbonyl)indol-1-yl]acetic acid is sourced from PubChem (CID 972750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).