2-[1-(cyclopropylmethyl)-2,3-dihydroindol-5-yl]propanoic acid

C15H19NO2 — CID 115106001

IUPAC2-[1-(cyclopropylmethyl)-2,3-dihydroindol-5-yl]propanoic acid
SMILESCC(C(=O)O)c1ccc2c(c1)CCN2CC1CC1
InChIInChI=1S/C15H19NO2/c1-10(15(17)18)12-4-5-14-13(8-12)6-7-16(14)9-11-2-3-11/h4-5,8,10-11H,2-3,6-7,9H2,1H3,(H,17,18)
InChIKeyVIZZVIKBISLKJZ-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.65
Rot. Bonds4

About 2-[1-(cyclopropylmethyl)-2,3-dihydroindol-5-yl]propanoic acid

2-[1-(cyclopropylmethyl)-2,3-dihydroindol-5-yl]propanoic acid (PubChem CID 115106001) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethyl)-2,3-dihydroindol-5-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-(cyclopropylmethyl)-2,3-dihydroindol-5-yl]propanoic acid
PubChem CID115106001
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2-[1-(cyclopropylmethyl)-2,3-dihydroindol-5-yl]propanoic acid
SMILESCC(C(=O)O)c1ccc2c(c1)CCN2CC1CC1
InChIInChI=1S/C15H19NO2/c1-10(15(17)18)12-4-5-14-13(8-12)6-7-16(14)9-11-2-3-11/h4-5,8,10-11H,2-3,6-7,9H2,1H3,(H,17,18)
InChIKeyVIZZVIKBISLKJZ-UHFFFAOYSA-N
XLogP2.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Alminoprofen
CID 2097
3-(1-methyl-2-sulfanylidene-2,3-dihydro-1H-indol-3-yl)propanoic acid
CID 5328540
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CID 213515
(alphaS)-alpha-Methyl-4-((2-methyl-2-propen-1-yl)amino)benzeneacetic acid
CID 69305006
4-N,N-dimethylaminophenylacetic acid
CID 152203
4-(1-methyl-2-sulfanylidene-2,3-dihydro-1H-indol-3-yl)butanoic acid
CID 5328544
methyl 4-(1-methyl-2-sulfanylidene-2,3-dihydro-1H-indol-3-yl)butanoate
CID 5328546
2-[1-[(2,6-Dimethylphenyl)methyl]-2,3-dihydroindol-6-yl]acetic acid
CID 60152010
(3-RS)-2-[1-(2,6-dimethylbenzyl)-2,3-dihydro-3-methyl-1H-indole-6-yl]acetic acid
CID 60152011
Propionic acid, 2-(4-(propylamino)phenyl)-
CID 217829
Propionic acid, 2-(4-(butylamino)phenyl)-
CID 217830
Benzeneacetic acid, alpha-methyl-4-(1,3,4,7-tetrahydro-1-oxo-2H-isoindol-2-yl)-
CID 3047153

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethyl)-2,3-dihydroindol-5-yl]propanoic acid?
The IUPAC name of 2-[1-(cyclopropylmethyl)-2,3-dihydroindol-5-yl]propanoic acid (CID 115106001) is 2-[1-(cyclopropylmethyl)-2,3-dihydroindol-5-yl]propanoic acid.
What is the SMILES notation for 2-[1-(cyclopropylmethyl)-2,3-dihydroindol-5-yl]propanoic acid?
The canonical SMILES for 2-[1-(cyclopropylmethyl)-2,3-dihydroindol-5-yl]propanoic acid is CC(C(=O)O)c1ccc2c(c1)CCN2CC1CC1.
What is the InChIKey of 2-[1-(cyclopropylmethyl)-2,3-dihydroindol-5-yl]propanoic acid?
The InChIKey is VIZZVIKBISLKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-10(15(17)18)12-4-5-14-13(8-12)6-7-16(14)9-11-2-3-11/h4-5,8,10-11H,2-3,6-7,9H2,1H3,(H,17,18).
What are the key properties of 2-[1-(cyclopropylmethyl)-2,3-dihydroindol-5-yl]propanoic acid?
2-[1-(cyclopropylmethyl)-2,3-dihydroindol-5-yl]propanoic acid has a molecular weight of 245.32 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethyl)-2,3-dihydroindol-5-yl]propanoic acid is sourced from PubChem (CID 115106001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).