methyl 2-methyl-3-[methyl-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]propanoate

C17H20N2O4 — CID 55838452

IUPACmethyl 2-methyl-3-[methyl-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]propanoate
SMILESC=C1c2ccccc2C(=O)N1CC(=O)N(C)CC(C)C(=O)OC
InChIInChI=1S/C17H20N2O4/c1-11(17(22)23-4)9-18(3)15(20)10-19-12(2)13-7-5-6-8-14(13)16(19)21/h5-8,11H,2,9-10H2,1,3-4H3
InChIKeyFHLUFZNMLNIHFM-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.38
Rot. Bonds5

About methyl 2-methyl-3-[methyl-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]propanoate

methyl 2-methyl-3-[methyl-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]propanoate (PubChem CID 55838452) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is methyl 2-methyl-3-[methyl-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[methyl-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]propanoate
PubChem CID55838452
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Namemethyl 2-methyl-3-[methyl-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]propanoate
SMILESC=C1c2ccccc2C(=O)N1CC(=O)N(C)CC(C)C(=O)OC
InChIInChI=1S/C17H20N2O4/c1-11(17(22)23-4)9-18(3)15(20)10-19-12(2)13-7-5-6-8-14(13)16(19)21/h5-8,11H,2,9-10H2,1,3-4H3
InChIKeyFHLUFZNMLNIHFM-UHFFFAOYSA-N
XLogP1.38
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-methyl-3-[methyl-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]propanoate with MolForge

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Related Compounds

4-[methyl-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]butanoic acid
CID 119136436
2-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]-(2-methylpropyl)amino]acetic acid
CID 119193158
N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 86924890
N-(3-amino-4-methylpentyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 119659914
N-[(3-chlorophenyl)methyl]-N-methyl-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 18135929
2-(1-methylidene-3-oxoisoindol-2-yl)ethanethioamide
CID 143782156
N-(3-amino-2,2-dimethylpropyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 119655397
(4-phenylphenyl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate
CID 16603246
2-(1-methylidene-3-oxoisoindol-2-yl)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 18135714
3-methylidene-2-(2-oxo-2-pyrrolidin-1-ylethyl)isoindol-1-one
CID 47132389
[1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-(1-methylidene-3-oxoisoindol-2-yl)acetate
CID 55497072
2-(1-methylidene-3-oxoisoindol-2-yl)-N-(4-phenylphenyl)acetamide
CID 17419674

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[methyl-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]propanoate?
The IUPAC name of methyl 2-methyl-3-[methyl-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]propanoate (CID 55838452) is methyl 2-methyl-3-[methyl-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]propanoate.
What is the SMILES notation for methyl 2-methyl-3-[methyl-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]propanoate?
The canonical SMILES for methyl 2-methyl-3-[methyl-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]propanoate is C=C1c2ccccc2C(=O)N1CC(=O)N(C)CC(C)C(=O)OC.
What is the InChIKey of methyl 2-methyl-3-[methyl-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]propanoate?
The InChIKey is FHLUFZNMLNIHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-11(17(22)23-4)9-18(3)15(20)10-19-12(2)13-7-5-6-8-14(13)16(19)21/h5-8,11H,2,9-10H2,1,3-4H3.
What are the key properties of methyl 2-methyl-3-[methyl-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]propanoate?
methyl 2-methyl-3-[methyl-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]propanoate has a molecular weight of 316.36 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[methyl-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]propanoate is sourced from PubChem (CID 55838452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).