methyl 2-amino-3-[(2R)-2-(1,3-dioxoisoindol-2-yl)-3-methoxy-3-oxopropoxy]propanoate

C16H18N2O7 — CID 144998859

IUPACmethyl 2-amino-3-[(2R)-2-(1,3-dioxoisoindol-2-yl)-3-methoxy-3-oxopropoxy]propanoate
SMILESCOC(=O)C(N)COC[C@H](C(=O)OC)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H18N2O7/c1-23-15(21)11(17)7-25-8-12(16(22)24-2)18-13(19)9-5-3-4-6-10(9)14(18)20/h3-6,11-12H,7-8,17H2,1-2H3/t11?,12-/m1/s1
InChIKeyKOXUQMVIVKWKBM-PIJUOVFKSA-N
MW350.33 g/mol
LogP-0.66
Rot. Bonds7

About methyl 2-amino-3-[(2R)-2-(1,3-dioxoisoindol-2-yl)-3-methoxy-3-oxopropoxy]propanoate

methyl 2-amino-3-[(2R)-2-(1,3-dioxoisoindol-2-yl)-3-methoxy-3-oxopropoxy]propanoate (PubChem CID 144998859) has the molecular formula C16H18N2O7 and a molecular weight of 350.33 g/mol. Its IUPAC name is methyl 2-amino-3-[(2R)-2-(1,3-dioxoisoindol-2-yl)-3-methoxy-3-oxopropoxy]propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-[(2R)-2-(1,3-dioxoisoindol-2-yl)-3-methoxy-3-oxopropoxy]propanoate
PubChem CID144998859
Molecular FormulaC16H18N2O7
Molecular Weight350.33 g/mol
Exact Mass350.11
IUPAC Namemethyl 2-amino-3-[(2R)-2-(1,3-dioxoisoindol-2-yl)-3-methoxy-3-oxopropoxy]propanoate
SMILESCOC(=O)C(N)COC[C@H](C(=O)OC)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H18N2O7/c1-23-15(21)11(17)7-25-8-12(16(22)24-2)18-13(19)9-5-3-4-6-10(9)14(18)20/h3-6,11-12H,7-8,17H2,1-2H3/t11?,12-/m1/s1
InChIKeyKOXUQMVIVKWKBM-PIJUOVFKSA-N
XLogP-0.66
TPSA125.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze methyl 2-amino-3-[(2R)-2-(1,3-dioxoisoindol-2-yl)-3-methoxy-3-oxopropoxy]propanoate 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

methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-4-iodobutanoate
CID 91667087
methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-4-hydroxybutanoate
CID 11139950
dimethyl (2R,4R)-2-bromo-4-(1,3-dioxoisoindol-2-yl)pentanedioate
CID 7590540
methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylpent-4-enoate
CID 101259042
methyl 2-(1,3-dioxoisoindol-2-yl)heptanoate
CID 101207744
methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-4-[(R)-methylsulfinyl]butanoate
CID 11876874
methyl 2-(1,3-dioxoisoindol-2-yl)-3-morpholin-4-ylpropanoate
CID 54490539
2-(1,3-dioxoisoindol-2-yl)-3-methoxy-3-oxopropanoic acid
CID 154181112
methyl (2S,4S)-4-amino-2-(1,3-dioxoisoindol-2-yl)-6-methyl-3-oxoheptanoate
CID 100964211
methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-(4-fluorophenyl)propanoate
CID 146201481
methyl (2S,4S)-4-amino-2-(1,3-dioxoisoindol-2-yl)-3-oxopentanoate
CID 100964209
methyl (2S)-2-(1,3-dioxoisoindol-2-yl)but-3-enoate
CID 11096858

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-[(2R)-2-(1,3-dioxoisoindol-2-yl)-3-methoxy-3-oxopropoxy]propanoate?
The IUPAC name of methyl 2-amino-3-[(2R)-2-(1,3-dioxoisoindol-2-yl)-3-methoxy-3-oxopropoxy]propanoate (CID 144998859) is methyl 2-amino-3-[(2R)-2-(1,3-dioxoisoindol-2-yl)-3-methoxy-3-oxopropoxy]propanoate.
What is the SMILES notation for methyl 2-amino-3-[(2R)-2-(1,3-dioxoisoindol-2-yl)-3-methoxy-3-oxopropoxy]propanoate?
The canonical SMILES for methyl 2-amino-3-[(2R)-2-(1,3-dioxoisoindol-2-yl)-3-methoxy-3-oxopropoxy]propanoate is COC(=O)C(N)COC[C@H](C(=O)OC)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of methyl 2-amino-3-[(2R)-2-(1,3-dioxoisoindol-2-yl)-3-methoxy-3-oxopropoxy]propanoate?
The InChIKey is KOXUQMVIVKWKBM-PIJUOVFKSA-N. The full InChI is InChI=1S/C16H18N2O7/c1-23-15(21)11(17)7-25-8-12(16(22)24-2)18-13(19)9-5-3-4-6-10(9)14(18)20/h3-6,11-12H,7-8,17H2,1-2H3/t11?,12-/m1/s1.
What are the key properties of methyl 2-amino-3-[(2R)-2-(1,3-dioxoisoindol-2-yl)-3-methoxy-3-oxopropoxy]propanoate?
methyl 2-amino-3-[(2R)-2-(1,3-dioxoisoindol-2-yl)-3-methoxy-3-oxopropoxy]propanoate has a molecular weight of 350.33 g/mol, XLogP of -0.66, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-[(2R)-2-(1,3-dioxoisoindol-2-yl)-3-methoxy-3-oxopropoxy]propanoate is sourced from PubChem (CID 144998859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).