3-cyclopropyl-3-(2-oxo-1,3-dihydroindol-7-yl)propanoic acid

C14H15NO3 — CID 117364721

IUPAC3-cyclopropyl-3-(2-oxo-1,3-dihydroindol-7-yl)propanoic acid
SMILESO=C(O)CC(c1cccc2c1NC(=O)C2)C1CC1
InChIInChI=1S/C14H15NO3/c16-12-6-9-2-1-3-10(14(9)15-12)11(7-13(17)18)8-4-5-8/h1-3,8,11H,4-7H2,(H,15,16)(H,17,18)
InChIKeyPYAISQNIICWZBW-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.15
Rot. Bonds4

About 3-cyclopropyl-3-(2-oxo-1,3-dihydroindol-7-yl)propanoic acid

3-cyclopropyl-3-(2-oxo-1,3-dihydroindol-7-yl)propanoic acid (PubChem CID 117364721) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-cyclopropyl-3-(2-oxo-1,3-dihydroindol-7-yl)propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-(2-oxo-1,3-dihydroindol-7-yl)propanoic acid
PubChem CID117364721
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name3-cyclopropyl-3-(2-oxo-1,3-dihydroindol-7-yl)propanoic acid
SMILESO=C(O)CC(c1cccc2c1NC(=O)C2)C1CC1
InChIInChI=1S/C14H15NO3/c16-12-6-9-2-1-3-10(14(9)15-12)11(7-13(17)18)8-4-5-8/h1-3,8,11H,4-7H2,(H,15,16)(H,17,18)
InChIKeyPYAISQNIICWZBW-UHFFFAOYSA-N
XLogP2.15
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dihydroxy-4-(2-oxo-1,3-dihydroindol-7-yl)butanoic acid
CID 171877907
(3R)-3-cyclopropyl-3-(2-fluoro-3-hydroxyphenyl)propanoic acid
CID 124582441
3-cyclopropyl-3-(3-fluoro-2-hydroxyphenyl)propanoic acid
CID 117321662
3-cyclopropyl-3-(3-ethyl-2-methoxyphenyl)propanoic acid
CID 117373932
7-(4-amino-1,2-dihydroxybutyl)-1,3-dihydroindol-2-one
CID 171881489
3-cyclopropyl-3-[2-(2-hydroxypropan-2-yl)phenyl]propanoic acid
CID 117107758
S-[2,3-dihydroxy-3-(2-oxo-1,3-dihydroindol-7-yl)propyl] ethanethioate
CID 170822166
2-oxo-2-(2-oxo-1,3-dihydroindol-7-yl)acetic acid
CID 117293086
3-cyclopropyl-3-[2-(2-oxo-1H-imidazol-3-yl)phenyl]propanoic acid
CID 117433504
3-cyclopropyl-3-(1-methylindol-7-yl)propanoic acid
CID 117360163
3-(1,2-benzoxazol-4-yl)-3-cyclopropylpropanoic acid
CID 117333889
3-cyclopropyl-3-[2-(1,1-difluoroethyl)phenyl]propanoic acid
CID 117388777

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(2-oxo-1,3-dihydroindol-7-yl)propanoic acid?
The IUPAC name of 3-cyclopropyl-3-(2-oxo-1,3-dihydroindol-7-yl)propanoic acid (CID 117364721) is 3-cyclopropyl-3-(2-oxo-1,3-dihydroindol-7-yl)propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-(2-oxo-1,3-dihydroindol-7-yl)propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-(2-oxo-1,3-dihydroindol-7-yl)propanoic acid is O=C(O)CC(c1cccc2c1NC(=O)C2)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-(2-oxo-1,3-dihydroindol-7-yl)propanoic acid?
The InChIKey is PYAISQNIICWZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c16-12-6-9-2-1-3-10(14(9)15-12)11(7-13(17)18)8-4-5-8/h1-3,8,11H,4-7H2,(H,15,16)(H,17,18).
What are the key properties of 3-cyclopropyl-3-(2-oxo-1,3-dihydroindol-7-yl)propanoic acid?
3-cyclopropyl-3-(2-oxo-1,3-dihydroindol-7-yl)propanoic acid has a molecular weight of 245.28 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(2-oxo-1,3-dihydroindol-7-yl)propanoic acid is sourced from PubChem (CID 117364721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).