4-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-methylamino]butanoic acid

C20H24N2O5 — CID 119173041

IUPAC4-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O
InChIInChI=1S/C20H24N2O5/c1-21(11-5-8-17(23)24)18(25)13-9-10-15-16(12-13)20(27)22(19(15)26)14-6-3-2-4-7-14/h9-10,12,14H,2-8,11H2,1H3,(H,23,24)
InChIKeySBSSAXOFQOFHMV-UHFFFAOYSA-N
MW372.42 g/mol
LogP2.55
Rot. Bonds6

About 4-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-methylamino]butanoic acid

4-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-methylamino]butanoic acid (PubChem CID 119173041) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is 4-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-methylamino]butanoic acid
PubChem CID119173041
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Name4-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O
InChIInChI=1S/C20H24N2O5/c1-21(11-5-8-17(23)24)18(25)13-9-10-15-16(12-13)20(27)22(19(15)26)14-6-3-2-4-7-14/h9-10,12,14H,2-8,11H2,1H3,(H,23,24)
InChIKeySBSSAXOFQOFHMV-UHFFFAOYSA-N
XLogP2.55
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-methylamino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-ethylamino]acetic acid
CID 119206160
2-cyclohexyl-N-methyl-1,3-dioxo-N-(2-pyridin-2-ylethyl)isoindole-5-carboxamide
CID 134017566
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
N-butyl-N,2-dimethyl-1,3-dioxoisoindole-5-carboxamide
CID 32906535
2-cyclohexyl-N-(2-hydroxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 78855304
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate
CID 2639465
N-(2-amino-2-methylpropyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119627052
2-cyclohexyl-1,3-dioxo-N-[3-oxo-3-(propan-2-ylamino)propyl]isoindole-5-carboxamide
CID 55599710
4-[[4-(cyclohexylmethoxy)benzoyl]-methylamino]butanoic acid
CID 119172965
decyl 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate
CID 3112633
3-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-1-(2-hydroxyethyl)-1-methylurea
CID 108874094

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-methylamino]butanoic acid?
The IUPAC name of 4-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-methylamino]butanoic acid (CID 119173041) is 4-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-methylamino]butanoic acid.
What is the SMILES notation for 4-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-methylamino]butanoic acid?
The canonical SMILES for 4-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-methylamino]butanoic acid is CN(CCCC(=O)O)C(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O.
What is the InChIKey of 4-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-methylamino]butanoic acid?
The InChIKey is SBSSAXOFQOFHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-21(11-5-8-17(23)24)18(25)13-9-10-15-16(12-13)20(27)22(19(15)26)14-6-3-2-4-7-14/h9-10,12,14H,2-8,11H2,1H3,(H,23,24).
What are the key properties of 4-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-methylamino]butanoic acid?
4-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-methylamino]butanoic acid has a molecular weight of 372.42 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-methylamino]butanoic acid is sourced from PubChem (CID 119173041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).