4-[(1-carbamoyl-2,3-dihydroindol-6-yl)amino]cyclohexane-1-carboxylic acid

C16H21N3O3 — CID 122033630

IUPAC4-[(1-carbamoyl-2,3-dihydroindol-6-yl)amino]cyclohexane-1-carboxylic acid
SMILESNC(=O)N1CCc2ccc(NC3CCC(C(=O)O)CC3)cc21
InChIInChI=1S/C16H21N3O3/c17-16(22)19-8-7-10-1-6-13(9-14(10)19)18-12-4-2-11(3-5-12)15(20)21/h1,6,9,11-12,18H,2-5,7-8H2,(H2,17,22)(H,20,21)
InChIKeyRHCZZWZDYANNOB-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.18
Rot. Bonds3

About 4-[(1-carbamoyl-2,3-dihydroindol-6-yl)amino]cyclohexane-1-carboxylic acid

4-[(1-carbamoyl-2,3-dihydroindol-6-yl)amino]cyclohexane-1-carboxylic acid (PubChem CID 122033630) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 4-[(1-carbamoyl-2,3-dihydroindol-6-yl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(1-carbamoyl-2,3-dihydroindol-6-yl)amino]cyclohexane-1-carboxylic acid
PubChem CID122033630
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name4-[(1-carbamoyl-2,3-dihydroindol-6-yl)amino]cyclohexane-1-carboxylic acid
SMILESNC(=O)N1CCc2ccc(NC3CCC(C(=O)O)CC3)cc21
InChIInChI=1S/C16H21N3O3/c17-16(22)19-8-7-10-1-6-13(9-14(10)19)18-12-4-2-11(3-5-12)15(20)21/h1,6,9,11-12,18H,2-5,7-8H2,(H2,17,22)(H,20,21)
InChIKeyRHCZZWZDYANNOB-UHFFFAOYSA-N
XLogP2.18
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-carbamoyl-2,3-dihydroindol-6-yl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(1-carbamoyl-2,3-dihydroindol-6-yl)amino]cyclohexane-1-carboxylic acid (CID 122033630) is 4-[(1-carbamoyl-2,3-dihydroindol-6-yl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(1-carbamoyl-2,3-dihydroindol-6-yl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(1-carbamoyl-2,3-dihydroindol-6-yl)amino]cyclohexane-1-carboxylic acid is NC(=O)N1CCc2ccc(NC3CCC(C(=O)O)CC3)cc21.
What is the InChIKey of 4-[(1-carbamoyl-2,3-dihydroindol-6-yl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is RHCZZWZDYANNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c17-16(22)19-8-7-10-1-6-13(9-14(10)19)18-12-4-2-11(3-5-12)15(20)21/h1,6,9,11-12,18H,2-5,7-8H2,(H2,17,22)(H,20,21).
What are the key properties of 4-[(1-carbamoyl-2,3-dihydroindol-6-yl)amino]cyclohexane-1-carboxylic acid?
4-[(1-carbamoyl-2,3-dihydroindol-6-yl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 303.36 g/mol, XLogP of 2.18, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-carbamoyl-2,3-dihydroindol-6-yl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122033630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).