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

C17H18N2O5 — CID 119171454

IUPAC2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O
InChIInChI=1S/C17H18N2O5/c20-14(21)9-18-15(22)10-6-7-12-13(8-10)17(24)19(16(12)23)11-4-2-1-3-5-11/h6-8,11H,1-5,9H2,(H,18,22)(H,20,21)
InChIKeyGMSBPNHNZCMNEG-UHFFFAOYSA-N
MW330.34 g/mol
LogP1.43
Rot. Bonds4

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

2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]acetic acid (PubChem CID 119171454) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is 2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]acetic acid
PubChem CID119171454
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Name2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O
InChIInChI=1S/C17H18N2O5/c20-14(21)9-18-15(22)10-6-7-12-13(8-10)17(24)19(16(12)23)11-4-2-1-3-5-11/h6-8,11H,1-5,9H2,(H,18,22)(H,20,21)
InChIKeyGMSBPNHNZCMNEG-UHFFFAOYSA-N
XLogP1.43
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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

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-1,3-dioxo-N-(pyrrolidin-2-ylmethyl)isoindole-5-carboxamide
CID 119511117
2-cyclohexyl-1,3-dioxo-N-(2-phenoxyethyl)isoindole-5-carboxamide
CID 27758114
2-cyclohexyl-N-[2-[(3-fluorobenzoyl)amino]ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 108540506
N-(3-amino-2-methylpropyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide
CID 119997286
2-cyclohexyl-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 108540023
phenyl N-[2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]ethyl]carbamate
CID 108571993
2-cyclohexyl-1,3-dioxo-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]isoindole-5-carboxamide
CID 108934796
2-cyclohexyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 120946132
2-cyclohexyl-N-[2-(3,3-dimethylbutanoylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 108572001
2-cyclohexyl-1,3-dioxo-N-[3-oxo-3-(propan-2-ylamino)propyl]isoindole-5-carboxamide
CID 55599710

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]acetic acid (CID 119171454) is 2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]acetic acid is O=C(O)CNC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O.
What is the InChIKey of 2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]acetic acid?
The InChIKey is GMSBPNHNZCMNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c20-14(21)9-18-15(22)10-6-7-12-13(8-10)17(24)19(16(12)23)11-4-2-1-3-5-11/h6-8,11H,1-5,9H2,(H,18,22)(H,20,21).
What are the key properties of 2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]acetic acid?
2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]acetic acid has a molecular weight of 330.34 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 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)amino]acetic acid is sourced from PubChem (CID 119171454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).