2-[(1-methylindole-2-carbonyl)amino]cycloheptane-1-carboxylic acid

C18H22N2O3 — CID 23510298

IUPAC2-[(1-methylindole-2-carbonyl)amino]cycloheptane-1-carboxylic acid
SMILESCn1c(C(=O)NC2CCCCCC2C(=O)O)cc2ccccc21
InChIInChI=1S/C18H22N2O3/c1-20-15-10-6-5-7-12(15)11-16(20)17(21)19-14-9-4-2-3-8-13(14)18(22)23/h5-7,10-11,13-14H,2-4,8-9H2,1H3,(H,19,21)(H,22,23)
InChIKeyVSKPPEANLZKWFS-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.94
Rot. Bonds3

About 2-[(1-methylindole-2-carbonyl)amino]cycloheptane-1-carboxylic acid

2-[(1-methylindole-2-carbonyl)amino]cycloheptane-1-carboxylic acid (PubChem CID 23510298) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 2-[(1-methylindole-2-carbonyl)amino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(1-methylindole-2-carbonyl)amino]cycloheptane-1-carboxylic acid
PubChem CID23510298
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name2-[(1-methylindole-2-carbonyl)amino]cycloheptane-1-carboxylic acid
SMILESCn1c(C(=O)NC2CCCCCC2C(=O)O)cc2ccccc21
InChIInChI=1S/C18H22N2O3/c1-20-15-10-6-5-7-12(15)11-16(20)17(21)19-14-9-4-2-3-8-13(14)18(22)23/h5-7,10-11,13-14H,2-4,8-9H2,1H3,(H,19,21)(H,22,23)
InChIKeyVSKPPEANLZKWFS-UHFFFAOYSA-N
XLogP2.94
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylindole-2-carbonyl)amino]cycloheptane-1-carboxylic acid?
The IUPAC name of 2-[(1-methylindole-2-carbonyl)amino]cycloheptane-1-carboxylic acid (CID 23510298) is 2-[(1-methylindole-2-carbonyl)amino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 2-[(1-methylindole-2-carbonyl)amino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 2-[(1-methylindole-2-carbonyl)amino]cycloheptane-1-carboxylic acid is Cn1c(C(=O)NC2CCCCCC2C(=O)O)cc2ccccc21.
What is the InChIKey of 2-[(1-methylindole-2-carbonyl)amino]cycloheptane-1-carboxylic acid?
The InChIKey is VSKPPEANLZKWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-20-15-10-6-5-7-12(15)11-16(20)17(21)19-14-9-4-2-3-8-13(14)18(22)23/h5-7,10-11,13-14H,2-4,8-9H2,1H3,(H,19,21)(H,22,23).
What are the key properties of 2-[(1-methylindole-2-carbonyl)amino]cycloheptane-1-carboxylic acid?
2-[(1-methylindole-2-carbonyl)amino]cycloheptane-1-carboxylic acid has a molecular weight of 314.38 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylindole-2-carbonyl)amino]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 23510298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).