1-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]cyclohexane-1-carboxylic acid

C17H18N2O5 — CID 45427860

IUPAC1-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCN1C(=O)c2ccc(C(=O)NC3(C(=O)O)CCCCC3)cc2C1=O
InChIInChI=1S/C17H18N2O5/c1-19-14(21)11-6-5-10(9-12(11)15(19)22)13(20)18-17(16(23)24)7-3-2-4-8-17/h5-6,9H,2-4,7-8H2,1H3,(H,18,20)(H,23,24)
InChIKeyGWFZZDHJAIKXJB-UHFFFAOYSA-N
MW330.34 g/mol
LogP1.43
Rot. Bonds3

About 1-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]cyclohexane-1-carboxylic acid

1-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 45427860) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is 1-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID45427860
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Name1-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCN1C(=O)c2ccc(C(=O)NC3(C(=O)O)CCCCC3)cc2C1=O
InChIInChI=1S/C17H18N2O5/c1-19-14(21)11-6-5-10(9-12(11)15(19)22)13(20)18-17(16(23)24)7-3-2-4-8-17/h5-6,9H,2-4,7-8H2,1H3,(H,18,20)(H,23,24)
InChIKeyGWFZZDHJAIKXJB-UHFFFAOYSA-N
XLogP1.43
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120512737
1-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120512742
1-[(2-ethyl-1,1,3-trioxo-1,2-benzothiazole-6-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 120538658
N-cyclopentyl-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 6460881
1-[[3-chloro-4-(2-chlorophenyl)benzoyl]amino]cycloheptane-1-carboxylic acid
CID 70661891
1-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 120530960
1-[(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 120539179
1-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 166426013
1-[(3-fluoro-4-methoxybenzoyl)amino]cycloheptane-1-carboxylic acid
CID 120538673
2-methyl-1,3-dioxo-N-(4-piperidin-1-ylphenyl)isoindole-5-carboxamide
CID 26289690
1-[(2-oxo-3H-1,3-benzoxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 67180461
2-methyl-N-[5-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]pentyl]-1,3-dioxoisoindole-5-carboxamide
CID 169211222

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 45427860) is 1-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]cyclohexane-1-carboxylic acid is CN1C(=O)c2ccc(C(=O)NC3(C(=O)O)CCCCC3)cc2C1=O.
What is the InChIKey of 1-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is GWFZZDHJAIKXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-19-14(21)11-6-5-10(9-12(11)15(19)22)13(20)18-17(16(23)24)7-3-2-4-8-17/h5-6,9H,2-4,7-8H2,1H3,(H,18,20)(H,23,24).
What are the key properties of 1-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
1-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 330.34 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 45427860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).