2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-ethylamino]acetic acid

C19H22N2O5 — CID 119206160

IUPAC2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O
InChIInChI=1S/C19H22N2O5/c1-2-20(11-16(22)23)17(24)12-8-9-14-15(10-12)19(26)21(18(14)25)13-6-4-3-5-7-13/h8-10,13H,2-7,11H2,1H3,(H,22,23)
InChIKeyZUZKHFVLNPAXSF-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.16
Rot. Bonds5

About 2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-ethylamino]acetic acid

2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-ethylamino]acetic acid (PubChem CID 119206160) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is 2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-ethylamino]acetic acid
PubChem CID119206160
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O
InChIInChI=1S/C19H22N2O5/c1-2-20(11-16(22)23)17(24)12-8-9-14-15(10-12)19(26)21(18(14)25)13-6-4-3-5-7-13/h8-10,13H,2-7,11H2,1H3,(H,22,23)
InChIKeyZUZKHFVLNPAXSF-UHFFFAOYSA-N
XLogP2.16
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-methylamino]butanoic acid
CID 119173041
2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]acetic acid
CID 119171454
2-cyclohexyl-1,3-dioxo-N-piperidin-4-yl-N-propylisoindole-5-carboxamide
CID 119823932
2-cyclohexyl-N-(2-hydroxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 78855304
N-(2-amino-2-methylpropyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119627052
2-cyclohexyl-N-[[4-(diethylsulfamoyl)phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide
CID 46662252
1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-[4-(diethylamino)phenyl]urea
CID 108874139
decyl 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate
CID 3112633
N-(2-cyanoethyl)-2-cyclohexyl-N-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 56572716
2-cyclohexyl-N-methyl-1,3-dioxo-N-(2-pyridin-2-ylethyl)isoindole-5-carboxamide
CID 134017566
N-(3-amino-2-methylpropyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide
CID 119997286
N-(1-amino-2-methylpropan-2-yl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide
CID 119522353

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-ethylamino]acetic acid?
The IUPAC name of 2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-ethylamino]acetic acid (CID 119206160) is 2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-ethylamino]acetic acid.
What is the SMILES notation for 2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-ethylamino]acetic acid?
The canonical SMILES for 2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-ethylamino]acetic acid is CCN(CC(=O)O)C(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O.
What is the InChIKey of 2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-ethylamino]acetic acid?
The InChIKey is ZUZKHFVLNPAXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-2-20(11-16(22)23)17(24)12-8-9-14-15(10-12)19(26)21(18(14)25)13-6-4-3-5-7-13/h8-10,13H,2-7,11H2,1H3,(H,22,23).
What are the key properties of 2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-ethylamino]acetic acid?
2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-ethylamino]acetic acid has a molecular weight of 358.39 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-ethylamino]acetic acid is sourced from PubChem (CID 119206160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).