2-(1H-indol-5-ylcarbamoyl)cyclobutane-1-carboxylic acid

C14H14N2O3 — CID 120974701

IUPAC2-(1H-indol-5-ylcarbamoyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C14H14N2O3/c17-13(10-2-3-11(10)14(18)19)16-9-1-4-12-8(7-9)5-6-15-12/h1,4-7,10-11,15H,2-3H2,(H,16,17)(H,18,19)
InChIKeyZMOVXCNLYOMTKZ-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.22
Rot. Bonds3

About 2-(1H-indol-5-ylcarbamoyl)cyclobutane-1-carboxylic acid

2-(1H-indol-5-ylcarbamoyl)cyclobutane-1-carboxylic acid (PubChem CID 120974701) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-(1H-indol-5-ylcarbamoyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-(1H-indol-5-ylcarbamoyl)cyclobutane-1-carboxylic acid
PubChem CID120974701
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name2-(1H-indol-5-ylcarbamoyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C14H14N2O3/c17-13(10-2-3-11(10)14(18)19)16-9-1-4-12-8(7-9)5-6-15-12/h1,4-7,10-11,15H,2-3H2,(H,16,17)(H,18,19)
InChIKeyZMOVXCNLYOMTKZ-UHFFFAOYSA-N
XLogP2.22
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-indol-5-yl)-5-oxopyrrolidine-2-carboxamide
CID 110744978
4-hydroxy-N-(1H-indol-5-yl)pyrrolidine-2-carboxamide
CID 61250261
1-acetyl-N-(1H-indol-5-yl)piperidine-4-carboxamide
CID 110744988
N-(1H-indol-5-yl)piperidine-3-carboxamide
CID 61248015
(2S)-N-(1H-indol-5-yl)piperidine-2-carboxamide;hydrochloride
CID 119702704
4-(1H-indol-5-ylamino)-4-oxobutanoic acid
CID 54867490
N-(1H-indol-5-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102892360
2-(2H-benzotriazol-5-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974751
N-(1H-indol-5-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110730749
N-(1H-indol-5-yl)prop-2-enamide
CID 61251524
(3S)-N-(1H-indol-5-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 97263501
2,2,3,3-tetrafluoro-N-(1H-indol-5-yl)propanamide
CID 103732445

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-5-ylcarbamoyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 2-(1H-indol-5-ylcarbamoyl)cyclobutane-1-carboxylic acid (CID 120974701) is 2-(1H-indol-5-ylcarbamoyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-(1H-indol-5-ylcarbamoyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-(1H-indol-5-ylcarbamoyl)cyclobutane-1-carboxylic acid is O=C(O)C1CCC1C(=O)Nc1ccc2[nH]ccc2c1.
What is the InChIKey of 2-(1H-indol-5-ylcarbamoyl)cyclobutane-1-carboxylic acid?
The InChIKey is ZMOVXCNLYOMTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c17-13(10-2-3-11(10)14(18)19)16-9-1-4-12-8(7-9)5-6-15-12/h1,4-7,10-11,15H,2-3H2,(H,16,17)(H,18,19).
What are the key properties of 2-(1H-indol-5-ylcarbamoyl)cyclobutane-1-carboxylic acid?
2-(1H-indol-5-ylcarbamoyl)cyclobutane-1-carboxylic acid has a molecular weight of 258.28 g/mol, XLogP of 2.22, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-5-ylcarbamoyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120974701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).