5-(1-propyl-4,5,6,7-tetrahydroindol-2-yl)pentanoic acid

C16H25NO2 — CID 139599948

IUPAC5-(1-propyl-4,5,6,7-tetrahydroindol-2-yl)pentanoic acid
SMILESCCCn1c(CCCCC(=O)O)cc2c1CCCC2
InChIInChI=1S/C16H25NO2/c1-2-11-17-14(8-4-6-10-16(18)19)12-13-7-3-5-9-15(13)17/h12H,2-11H2,1H3,(H,18,19)
InChIKeyXDDOLUCLWXRVBI-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.57
Rot. Bonds7

About 5-(1-propyl-4,5,6,7-tetrahydroindol-2-yl)pentanoic acid

5-(1-propyl-4,5,6,7-tetrahydroindol-2-yl)pentanoic acid (PubChem CID 139599948) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 5-(1-propyl-4,5,6,7-tetrahydroindol-2-yl)pentanoic acid.

Molecular Properties

Compound Name5-(1-propyl-4,5,6,7-tetrahydroindol-2-yl)pentanoic acid
PubChem CID139599948
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name5-(1-propyl-4,5,6,7-tetrahydroindol-2-yl)pentanoic acid
SMILESCCCn1c(CCCCC(=O)O)cc2c1CCCC2
InChIInChI=1S/C16H25NO2/c1-2-11-17-14(8-4-6-10-16(18)19)12-13-7-3-5-9-15(13)17/h12H,2-11H2,1H3,(H,18,19)
InChIKeyXDDOLUCLWXRVBI-UHFFFAOYSA-N
XLogP3.57
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-acetyl-1-propyl-5,6,7,8-tetrahydroquinolin-2-one
CID 82522519
3-(1-butyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)propanoyl chloride
CID 82522396
3-(chloromethyl)-1-propyl-5,6,7,8-tetrahydroquinolin-2-one
CID 82522536
1-butyl-3-ethyl-5,6,7,8-tetrahydroquinolin-2-one
CID 13169244
2-phenyl-1-propyl-5,6-dihydro-4H-cyclopenta[b]pyrrole
CID 10998697
cyclobutanone;undecanoic acid
CID 53445946
11-(2-methylpyrazol-3-yl)undecanoic acid
CID 10778184
(2S)-2-[(1-butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl)amino]-3-methylbutanoic acid
CID 69475515
3-[amino(phenyl)methyl]-1-propyl-5,6,7,8-tetrahydroquinolin-2-one
CID 82522528
1-butyl-2-oxo-N-(2-phenylethyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 23587792
5-oxo-5-(1-propyl-3,4-dihydro-2H-quinolin-7-yl)pentanoic acid
CID 82263541
4-[4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)phenyl]butanoic acid
CID 59214556

Frequently Asked Questions

What is the IUPAC name of 5-(1-propyl-4,5,6,7-tetrahydroindol-2-yl)pentanoic acid?
The IUPAC name of 5-(1-propyl-4,5,6,7-tetrahydroindol-2-yl)pentanoic acid (CID 139599948) is 5-(1-propyl-4,5,6,7-tetrahydroindol-2-yl)pentanoic acid.
What is the SMILES notation for 5-(1-propyl-4,5,6,7-tetrahydroindol-2-yl)pentanoic acid?
The canonical SMILES for 5-(1-propyl-4,5,6,7-tetrahydroindol-2-yl)pentanoic acid is CCCn1c(CCCCC(=O)O)cc2c1CCCC2.
What is the InChIKey of 5-(1-propyl-4,5,6,7-tetrahydroindol-2-yl)pentanoic acid?
The InChIKey is XDDOLUCLWXRVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-2-11-17-14(8-4-6-10-16(18)19)12-13-7-3-5-9-15(13)17/h12H,2-11H2,1H3,(H,18,19).
What are the key properties of 5-(1-propyl-4,5,6,7-tetrahydroindol-2-yl)pentanoic acid?
5-(1-propyl-4,5,6,7-tetrahydroindol-2-yl)pentanoic acid has a molecular weight of 263.38 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-propyl-4,5,6,7-tetrahydroindol-2-yl)pentanoic acid is sourced from PubChem (CID 139599948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).