1-(1-aminocyclopentanecarbonyl)-2,3-dihydroindole-5-carboxylic acid

C15H18N2O3 — CID 61159437

IUPAC1-(1-aminocyclopentanecarbonyl)-2,3-dihydroindole-5-carboxylic acid
SMILESNC1(C(=O)N2CCc3cc(C(=O)O)ccc32)CCCC1
InChIInChI=1S/C15H18N2O3/c16-15(6-1-2-7-15)14(20)17-8-5-10-9-11(13(18)19)3-4-12(10)17/h3-4,9H,1-2,5-8,16H2,(H,18,19)
InChIKeyDOJBHLVILBEHMK-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.55
Rot. Bonds2

About 1-(1-aminocyclopentanecarbonyl)-2,3-dihydroindole-5-carboxylic acid

1-(1-aminocyclopentanecarbonyl)-2,3-dihydroindole-5-carboxylic acid (PubChem CID 61159437) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(1-aminocyclopentanecarbonyl)-2,3-dihydroindole-5-carboxylic acid.

Molecular Properties

Compound Name1-(1-aminocyclopentanecarbonyl)-2,3-dihydroindole-5-carboxylic acid
PubChem CID61159437
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-(1-aminocyclopentanecarbonyl)-2,3-dihydroindole-5-carboxylic acid
SMILESNC1(C(=O)N2CCc3cc(C(=O)O)ccc32)CCCC1
InChIInChI=1S/C15H18N2O3/c16-15(6-1-2-7-15)14(20)17-8-5-10-9-11(13(18)19)3-4-12(10)17/h3-4,9H,1-2,5-8,16H2,(H,18,19)
InChIKeyDOJBHLVILBEHMK-UHFFFAOYSA-N
XLogP1.55
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclopentanecarbonyl)-2,3-dihydroindole-5-carboxylic acid?
The IUPAC name of 1-(1-aminocyclopentanecarbonyl)-2,3-dihydroindole-5-carboxylic acid (CID 61159437) is 1-(1-aminocyclopentanecarbonyl)-2,3-dihydroindole-5-carboxylic acid.
What is the SMILES notation for 1-(1-aminocyclopentanecarbonyl)-2,3-dihydroindole-5-carboxylic acid?
The canonical SMILES for 1-(1-aminocyclopentanecarbonyl)-2,3-dihydroindole-5-carboxylic acid is NC1(C(=O)N2CCc3cc(C(=O)O)ccc32)CCCC1.
What is the InChIKey of 1-(1-aminocyclopentanecarbonyl)-2,3-dihydroindole-5-carboxylic acid?
The InChIKey is DOJBHLVILBEHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c16-15(6-1-2-7-15)14(20)17-8-5-10-9-11(13(18)19)3-4-12(10)17/h3-4,9H,1-2,5-8,16H2,(H,18,19).
What are the key properties of 1-(1-aminocyclopentanecarbonyl)-2,3-dihydroindole-5-carboxylic acid?
1-(1-aminocyclopentanecarbonyl)-2,3-dihydroindole-5-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclopentanecarbonyl)-2,3-dihydroindole-5-carboxylic acid is sourced from PubChem (CID 61159437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).