3-cyclopropyl-3-(1-methylindol-7-yl)propanoic acid

C15H17NO2 — CID 117360163

IUPAC3-cyclopropyl-3-(1-methylindol-7-yl)propanoic acid
SMILESCn1ccc2cccc(C(CC(=O)O)C3CC3)c21
InChIInChI=1S/C15H17NO2/c1-16-8-7-11-3-2-4-12(15(11)16)13(9-14(17)18)10-5-6-10/h2-4,7-8,10,13H,5-6,9H2,1H3,(H,17,18)
InChIKeyCZBHGUGXEQHMIQ-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.15
Rot. Bonds4

About 3-cyclopropyl-3-(1-methylindol-7-yl)propanoic acid

3-cyclopropyl-3-(1-methylindol-7-yl)propanoic acid (PubChem CID 117360163) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-cyclopropyl-3-(1-methylindol-7-yl)propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-(1-methylindol-7-yl)propanoic acid
PubChem CID117360163
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name3-cyclopropyl-3-(1-methylindol-7-yl)propanoic acid
SMILESCn1ccc2cccc(C(CC(=O)O)C3CC3)c21
InChIInChI=1S/C15H17NO2/c1-16-8-7-11-3-2-4-12(15(11)16)13(9-14(17)18)10-5-6-10/h2-4,7-8,10,13H,5-6,9H2,1H3,(H,17,18)
InChIKeyCZBHGUGXEQHMIQ-UHFFFAOYSA-N
XLogP3.15
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-cyclopropyl-3-(2-fluoro-3-hydroxyphenyl)propanoic acid
CID 124582441
3-cyclopropyl-3-[2-(2-hydroxypropan-2-yl)phenyl]propanoic acid
CID 117107758
3-cyclopropyl-3-(3-fluoro-2-hydroxyphenyl)propanoic acid
CID 117321662
3-cyclopropyl-3-(3-ethyl-2-methoxyphenyl)propanoic acid
CID 117373932
3-cyclopropyl-3-(3-methyl-1,2-benzoxazol-7-yl)propanoic acid
CID 117364713
3-cyclopropyl-3-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]propanoic acid
CID 117490730
3-cyclopropyl-3-[2-(1,1-difluoroethyl)phenyl]propanoic acid
CID 117388777
3-cyclopropyl-3-[3-(1-methylazetidin-3-yl)phenyl]propanoic acid
CID 117402253
3-cyclopropyl-3-[2-(4-methyl-3-oxopiperazin-1-yl)phenyl]propanoic acid
CID 117487191
3-cyclopropyl-3-(2-cyclopropyloxy-3-methoxyphenyl)propanoic acid
CID 117442474
3-cyclopropyl-3-[2-(pyrrolidin-1-ylmethyl)phenyl]propanoic acid
CID 117436283
1-(1-methylindol-7-yl)ethane-1,2-diamine
CID 82404349

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(1-methylindol-7-yl)propanoic acid?
The IUPAC name of 3-cyclopropyl-3-(1-methylindol-7-yl)propanoic acid (CID 117360163) is 3-cyclopropyl-3-(1-methylindol-7-yl)propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-(1-methylindol-7-yl)propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-(1-methylindol-7-yl)propanoic acid is Cn1ccc2cccc(C(CC(=O)O)C3CC3)c21.
What is the InChIKey of 3-cyclopropyl-3-(1-methylindol-7-yl)propanoic acid?
The InChIKey is CZBHGUGXEQHMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-16-8-7-11-3-2-4-12(15(11)16)13(9-14(17)18)10-5-6-10/h2-4,7-8,10,13H,5-6,9H2,1H3,(H,17,18).
What are the key properties of 3-cyclopropyl-3-(1-methylindol-7-yl)propanoic acid?
3-cyclopropyl-3-(1-methylindol-7-yl)propanoic acid has a molecular weight of 243.31 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(1-methylindol-7-yl)propanoic acid is sourced from PubChem (CID 117360163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).