methyl (2R)-2-[[2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carbonyl]amino]-3-methylbutanoate

C18H22N2O6 — CID 39890109

IUPACmethyl (2R)-2-[[2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carbonyl]amino]-3-methylbutanoate
SMILESCOCCN1C(=O)c2ccc(C(=O)N[C@@H](C(=O)OC)C(C)C)cc2C1=O
InChIInChI=1S/C18H22N2O6/c1-10(2)14(18(24)26-4)19-15(21)11-5-6-12-13(9-11)17(23)20(16(12)22)7-8-25-3/h5-6,9-10,14H,7-8H2,1-4H3,(H,19,21)/t14-/m1/s1
InChIKeyNWVAJIQUVMQLKL-CQSZACIVSA-N
MW362.38 g/mol
LogP0.86
Rot. Bonds7

About methyl (2R)-2-[[2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carbonyl]amino]-3-methylbutanoate

methyl (2R)-2-[[2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carbonyl]amino]-3-methylbutanoate (PubChem CID 39890109) has the molecular formula C18H22N2O6 and a molecular weight of 362.38 g/mol. Its IUPAC name is methyl (2R)-2-[[2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carbonyl]amino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[[2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carbonyl]amino]-3-methylbutanoate
PubChem CID39890109
Molecular FormulaC18H22N2O6
Molecular Weight362.38 g/mol
Exact Mass362.15
IUPAC Namemethyl (2R)-2-[[2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carbonyl]amino]-3-methylbutanoate
SMILESCOCCN1C(=O)c2ccc(C(=O)N[C@@H](C(=O)OC)C(C)C)cc2C1=O
InChIInChI=1S/C18H22N2O6/c1-10(2)14(18(24)26-4)19-15(21)11-5-6-12-13(9-11)17(23)20(16(12)22)7-8-25-3/h5-6,9-10,14H,7-8H2,1-4H3,(H,19,21)/t14-/m1/s1
InChIKeyNWVAJIQUVMQLKL-CQSZACIVSA-N
XLogP0.86
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl (2R)-2-[[2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carbonyl]amino]-3-methylbutanoate 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

N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 9470488
N-[(1R)-1-(furan-2-yl)ethyl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 9482083
2-(3-methoxypropyl)-N-[2-(2-methylpropanoylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 32974762
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxylate
CID 2639444
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxylate
CID 2639445
3-[[2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid
CID 2216673
methyl 2-[[4-(methoxymethyl)benzoyl]amino]-3-methylbutanoate
CID 43405155
2-(3-methoxypropyl)-N-[2-[(4-methylbenzoyl)amino]ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 108537943
methyl 2-[(3-amino-4-methoxybenzoyl)amino]-3-methylbutanoate
CID 43452003
methyl (2R)-3-methyl-2-(naphthalene-2-carbonylamino)butanoate
CID 40873480
methyl (2S)-2-[(3-amino-4-methylbenzoyl)amino]-3-methylbutanoate
CID 61142860
methyl 3-methyl-2-(naphthalene-2-carbonylamino)butanoate
CID 17421586

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carbonyl]amino]-3-methylbutanoate?
The IUPAC name of methyl (2R)-2-[[2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carbonyl]amino]-3-methylbutanoate (CID 39890109) is methyl (2R)-2-[[2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carbonyl]amino]-3-methylbutanoate.
What is the SMILES notation for methyl (2R)-2-[[2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carbonyl]amino]-3-methylbutanoate?
The canonical SMILES for methyl (2R)-2-[[2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carbonyl]amino]-3-methylbutanoate is COCCN1C(=O)c2ccc(C(=O)N[C@@H](C(=O)OC)C(C)C)cc2C1=O.
What is the InChIKey of methyl (2R)-2-[[2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carbonyl]amino]-3-methylbutanoate?
The InChIKey is NWVAJIQUVMQLKL-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22N2O6/c1-10(2)14(18(24)26-4)19-15(21)11-5-6-12-13(9-11)17(23)20(16(12)22)7-8-25-3/h5-6,9-10,14H,7-8H2,1-4H3,(H,19,21)/t14-/m1/s1.
What are the key properties of methyl (2R)-2-[[2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carbonyl]amino]-3-methylbutanoate?
methyl (2R)-2-[[2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carbonyl]amino]-3-methylbutanoate has a molecular weight of 362.38 g/mol, XLogP of 0.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carbonyl]amino]-3-methylbutanoate is sourced from PubChem (CID 39890109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).