2-(1-pentanoyl-2,3-dihydroindol-3-yl)acetic acid

C15H19NO3 — CID 79024077

IUPAC2-(1-pentanoyl-2,3-dihydroindol-3-yl)acetic acid
SMILESCCCCC(=O)N1CC(CC(=O)O)c2ccccc21
InChIInChI=1S/C15H19NO3/c1-2-3-8-14(17)16-10-11(9-15(18)19)12-6-4-5-7-13(12)16/h4-7,11H,2-3,8-10H2,1H3,(H,18,19)
InChIKeyZLFRICVAKHODSF-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.78
Rot. Bonds5

About 2-(1-pentanoyl-2,3-dihydroindol-3-yl)acetic acid

2-(1-pentanoyl-2,3-dihydroindol-3-yl)acetic acid (PubChem CID 79024077) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(1-pentanoyl-2,3-dihydroindol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-pentanoyl-2,3-dihydroindol-3-yl)acetic acid
PubChem CID79024077
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-(1-pentanoyl-2,3-dihydroindol-3-yl)acetic acid
SMILESCCCCC(=O)N1CC(CC(=O)O)c2ccccc21
InChIInChI=1S/C15H19NO3/c1-2-3-8-14(17)16-10-11(9-15(18)19)12-6-4-5-7-13(12)16/h4-7,11H,2-3,8-10H2,1H3,(H,18,19)
InChIKeyZLFRICVAKHODSF-UHFFFAOYSA-N
XLogP2.78
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-aminoacetyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80573375
2-[1-(4-amino-4-methylpentanoyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80572965
2-(1-acetyl-2,3-dihydroindol-3-yl)acetic acid
CID 44720734
1-(3-ethyl-2,3-dihydroindol-1-yl)butan-1-one
CID 71107498
2-[1-(2-methylsulfonylacetyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80573660
1-octanoyl-2,3-dihydroindole-3-carboxylic acid
CID 80564889
ethyl 2-[1-(6-aminohexanoyl)-2,3-dihydroindol-3-yl]acetate
CID 139389682
2-[1-[2-(aminomethyl)pentanoyl]-2,3-dihydroindol-3-yl]acetic acid
CID 80572570
1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]butan-1-one
CID 63235305
2-[1-(tert-butylcarbamoyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80573957
2-[1-[2-(methylamino)propanoyl]-2,3-dihydroindol-3-yl]acetic acid
CID 80573414
2-[1-(2-thiophen-3-ylacetyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80572291

Frequently Asked Questions

What is the IUPAC name of 2-(1-pentanoyl-2,3-dihydroindol-3-yl)acetic acid?
The IUPAC name of 2-(1-pentanoyl-2,3-dihydroindol-3-yl)acetic acid (CID 79024077) is 2-(1-pentanoyl-2,3-dihydroindol-3-yl)acetic acid.
What is the SMILES notation for 2-(1-pentanoyl-2,3-dihydroindol-3-yl)acetic acid?
The canonical SMILES for 2-(1-pentanoyl-2,3-dihydroindol-3-yl)acetic acid is CCCCC(=O)N1CC(CC(=O)O)c2ccccc21.
What is the InChIKey of 2-(1-pentanoyl-2,3-dihydroindol-3-yl)acetic acid?
The InChIKey is ZLFRICVAKHODSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-2-3-8-14(17)16-10-11(9-15(18)19)12-6-4-5-7-13(12)16/h4-7,11H,2-3,8-10H2,1H3,(H,18,19).
What are the key properties of 2-(1-pentanoyl-2,3-dihydroindol-3-yl)acetic acid?
2-(1-pentanoyl-2,3-dihydroindol-3-yl)acetic acid has a molecular weight of 261.32 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pentanoyl-2,3-dihydroindol-3-yl)acetic acid is sourced from PubChem (CID 79024077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).