2-[[2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)acetyl]amino]acetic acid

C11H16N2O5 — CID 62932062

IUPAC2-[[2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)acetyl]amino]acetic acid
SMILESCC1(C)CC(=O)N(CC(=O)NCC(=O)O)C(=O)C1
InChIInChI=1S/C11H16N2O5/c1-11(2)3-8(15)13(9(16)4-11)6-7(14)12-5-10(17)18/h3-6H2,1-2H3,(H,12,14)(H,17,18)
InChIKeyJBIBHDNDZLHCHL-UHFFFAOYSA-N
MW256.26 g/mol
LogP-0.64
Rot. Bonds4

About 2-[[2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)acetyl]amino]acetic acid

2-[[2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)acetyl]amino]acetic acid (PubChem CID 62932062) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-[[2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)acetyl]amino]acetic acid
PubChem CID62932062
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name2-[[2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)acetyl]amino]acetic acid
SMILESCC1(C)CC(=O)N(CC(=O)NCC(=O)O)C(=O)C1
InChIInChI=1S/C11H16N2O5/c1-11(2)3-8(15)13(9(16)4-11)6-7(14)12-5-10(17)18/h3-6H2,1-2H3,(H,12,14)(H,17,18)
InChIKeyJBIBHDNDZLHCHL-UHFFFAOYSA-N
XLogP-0.64
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-0.64
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-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid
CID 43170513
2-[2-[2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 139516852
2-[[2-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)acetyl]amino]acetic acid
CID 114391557
2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]acetic acid
CID 82041147
2-[[2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetyl]amino]acetic acid
CID 119350297
4,4-dimethyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidine-2,6-dione
CID 103072355
2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid
CID 43170515
3-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-hydroxypropanoic acid
CID 66165467
2-[[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetyl]amino]acetic acid
CID 3022943
2-[[2-(2-oxoazocan-1-yl)acetyl]amino]acetic acid
CID 119171385
2-[[2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetyl]amino]acetic acid
CID 82042880
2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-N-methylacetamide
CID 4500586

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)acetyl]amino]acetic acid (CID 62932062) is 2-[[2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)acetyl]amino]acetic acid is CC1(C)CC(=O)N(CC(=O)NCC(=O)O)C(=O)C1.
What is the InChIKey of 2-[[2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)acetyl]amino]acetic acid?
The InChIKey is JBIBHDNDZLHCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5/c1-11(2)3-8(15)13(9(16)4-11)6-7(14)12-5-10(17)18/h3-6H2,1-2H3,(H,12,14)(H,17,18).
What are the key properties of 2-[[2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)acetyl]amino]acetic acid?
2-[[2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)acetyl]amino]acetic acid has a molecular weight of 256.26 g/mol, XLogP of -0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 62932062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).