2-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]-(2-methylpropyl)amino]acetic acid

C17H20N2O4 — CID 119193158

IUPAC2-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]-(2-methylpropyl)amino]acetic acid
SMILESC=C1c2ccccc2C(=O)N1CC(=O)N(CC(=O)O)CC(C)C
InChIInChI=1S/C17H20N2O4/c1-11(2)8-18(10-16(21)22)15(20)9-19-12(3)13-6-4-5-7-14(13)17(19)23/h4-7,11H,3,8-10H2,1-2H3,(H,21,22)
InChIKeyLTVBIBXGOKFXIN-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.68
Rot. Bonds6

About 2-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]-(2-methylpropyl)amino]acetic acid

2-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]-(2-methylpropyl)amino]acetic acid (PubChem CID 119193158) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]-(2-methylpropyl)amino]acetic acid
PubChem CID119193158
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name2-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]-(2-methylpropyl)amino]acetic acid
SMILESC=C1c2ccccc2C(=O)N1CC(=O)N(CC(=O)O)CC(C)C
InChIInChI=1S/C17H20N2O4/c1-11(2)8-18(10-16(21)22)15(20)9-19-12(3)13-6-4-5-7-14(13)17(19)23/h4-7,11H,3,8-10H2,1-2H3,(H,21,22)
InChIKeyLTVBIBXGOKFXIN-UHFFFAOYSA-N
XLogP1.68
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]-(2-methylpropyl)amino]acetic acid with MolForge

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Related Compounds

3-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-(2-methylpropyl)amino]propanoic acid
CID 119190371
4-[methyl-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]butanoic acid
CID 119136436
methyl 2-methyl-3-[methyl-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]propanoate
CID 55838452
N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 86924890
2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-methylpropyl)amino]acetic acid
CID 63072592
(2R)-2-(1,3-dioxoisoindol-2-yl)-N,N-bis(2-methylpropyl)propanamide
CID 7297635
2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2-methylanilino)acetic acid
CID 67782299
2-[3-(1,3-dioxoisoindol-2-yl)propanoyl-propan-2-ylamino]acetic acid
CID 119197989
2-[2-methylpropyl-[3-(2-oxo-1-pyridinyl)propanoyl]amino]acetic acid
CID 62033536
2-(1-methylidene-3-oxoisoindol-2-yl)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 18135714
2-(1-methylidene-3-oxoisoindol-2-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 86915725
2-(1-methylidene-3-oxoisoindol-2-yl)ethanethioamide
CID 143782156

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]-(2-methylpropyl)amino]acetic acid (CID 119193158) is 2-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]-(2-methylpropyl)amino]acetic acid is C=C1c2ccccc2C(=O)N1CC(=O)N(CC(=O)O)CC(C)C.
What is the InChIKey of 2-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]-(2-methylpropyl)amino]acetic acid?
The InChIKey is LTVBIBXGOKFXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-11(2)8-18(10-16(21)22)15(20)9-19-12(3)13-6-4-5-7-14(13)17(19)23/h4-7,11H,3,8-10H2,1-2H3,(H,21,22).
What are the key properties of 2-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]-(2-methylpropyl)amino]acetic acid?
2-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]-(2-methylpropyl)amino]acetic acid has a molecular weight of 316.36 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 119193158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).