1-[1-(aminomethyl)cyclobutanecarbonyl]-2,3-dihydroindole-5-carboxylic acid

C15H18N2O3 — CID 115448261

IUPAC1-[1-(aminomethyl)cyclobutanecarbonyl]-2,3-dihydroindole-5-carboxylic acid
SMILESNCC1(C(=O)N2CCc3cc(C(=O)O)ccc32)CCC1
InChIInChI=1S/C15H18N2O3/c16-9-15(5-1-6-15)14(20)17-7-4-10-8-11(13(18)19)2-3-12(10)17/h2-3,8H,1,4-7,9,16H2,(H,18,19)
InChIKeyYFWPCVVZEGJQGQ-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.40
Rot. Bonds3

About 1-[1-(aminomethyl)cyclobutanecarbonyl]-2,3-dihydroindole-5-carboxylic acid

1-[1-(aminomethyl)cyclobutanecarbonyl]-2,3-dihydroindole-5-carboxylic acid (PubChem CID 115448261) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclobutanecarbonyl]-2,3-dihydroindole-5-carboxylic acid.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclobutanecarbonyl]-2,3-dihydroindole-5-carboxylic acid
PubChem CID115448261
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-[1-(aminomethyl)cyclobutanecarbonyl]-2,3-dihydroindole-5-carboxylic acid
SMILESNCC1(C(=O)N2CCc3cc(C(=O)O)ccc32)CCC1
InChIInChI=1S/C15H18N2O3/c16-9-15(5-1-6-15)14(20)17-7-4-10-8-11(13(18)19)2-3-12(10)17/h2-3,8H,1,4-7,9,16H2,(H,18,19)
InChIKeyYFWPCVVZEGJQGQ-UHFFFAOYSA-N
XLogP1.40
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(aminomethyl)cyclobutanecarbonyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 115448262
1-(1-aminocyclopentanecarbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 61159437
1-(2-cyclopentylacetyl)-2,3-dihydroindole-5-carboxylic acid
CID 45349399
[4-(aminomethyl)oxan-4-yl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone
CID 120929973
[4-(aminomethyl)oxan-4-yl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 120929972
1-(piperidine-1-carbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 61181121
1-butanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43142326
1-(2,2,2-trifluoroethoxycarbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 61170398
1-acetyl-N-[1-(aminomethyl)cyclopentyl]-2,3-dihydroindole-5-carboxamide
CID 119260765
1-acetyl-N-[1-(aminomethyl)cyclopentyl]-2,3-dihydroindole-5-carboxamide;hydrochloride
CID 119260764
1-pentanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43217694
1-(hexan-3-ylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid
CID 62118793

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclobutanecarbonyl]-2,3-dihydroindole-5-carboxylic acid?
The IUPAC name of 1-[1-(aminomethyl)cyclobutanecarbonyl]-2,3-dihydroindole-5-carboxylic acid (CID 115448261) is 1-[1-(aminomethyl)cyclobutanecarbonyl]-2,3-dihydroindole-5-carboxylic acid.
What is the SMILES notation for 1-[1-(aminomethyl)cyclobutanecarbonyl]-2,3-dihydroindole-5-carboxylic acid?
The canonical SMILES for 1-[1-(aminomethyl)cyclobutanecarbonyl]-2,3-dihydroindole-5-carboxylic acid is NCC1(C(=O)N2CCc3cc(C(=O)O)ccc32)CCC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclobutanecarbonyl]-2,3-dihydroindole-5-carboxylic acid?
The InChIKey is YFWPCVVZEGJQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c16-9-15(5-1-6-15)14(20)17-7-4-10-8-11(13(18)19)2-3-12(10)17/h2-3,8H,1,4-7,9,16H2,(H,18,19).
What are the key properties of 1-[1-(aminomethyl)cyclobutanecarbonyl]-2,3-dihydroindole-5-carboxylic acid?
1-[1-(aminomethyl)cyclobutanecarbonyl]-2,3-dihydroindole-5-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclobutanecarbonyl]-2,3-dihydroindole-5-carboxylic acid is sourced from PubChem (CID 115448261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).