1-amino-3-(1,3-dihydroisoindol-2-yl)cyclohexane-1-carboxylic acid

C15H20N2O2 — CID 79642312

IUPAC1-amino-3-(1,3-dihydroisoindol-2-yl)cyclohexane-1-carboxylic acid
SMILESNC1(C(=O)O)CCCC(N2Cc3ccccc3C2)C1
InChIInChI=1S/C15H20N2O2/c16-15(14(18)19)7-3-6-13(8-15)17-9-11-4-1-2-5-12(11)10-17/h1-2,4-5,13H,3,6-10,16H2,(H,18,19)
InChIKeyFONYSZRAPGIHLG-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.73
Rot. Bonds2

About 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclohexane-1-carboxylic acid

1-amino-3-(1,3-dihydroisoindol-2-yl)cyclohexane-1-carboxylic acid (PubChem CID 79642312) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-3-(1,3-dihydroisoindol-2-yl)cyclohexane-1-carboxylic acid
PubChem CID79642312
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-amino-3-(1,3-dihydroisoindol-2-yl)cyclohexane-1-carboxylic acid
SMILESNC1(C(=O)O)CCCC(N2Cc3ccccc3C2)C1
InChIInChI=1S/C15H20N2O2/c16-15(14(18)19)7-3-6-13(8-15)17-9-11-4-1-2-5-12(11)10-17/h1-2,4-5,13H,3,6-10,16H2,(H,18,19)
InChIKeyFONYSZRAPGIHLG-UHFFFAOYSA-N
XLogP1.73
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclohexane-1-carboxylic acid (CID 79642312) is 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclohexane-1-carboxylic acid is NC1(C(=O)O)CCCC(N2Cc3ccccc3C2)C1.
What is the InChIKey of 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclohexane-1-carboxylic acid?
The InChIKey is FONYSZRAPGIHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c16-15(14(18)19)7-3-6-13(8-15)17-9-11-4-1-2-5-12(11)10-17/h1-2,4-5,13H,3,6-10,16H2,(H,18,19).
What are the key properties of 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclohexane-1-carboxylic acid?
1-amino-3-(1,3-dihydroisoindol-2-yl)cyclohexane-1-carboxylic acid has a molecular weight of 260.34 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79642312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).