2-[tert-butyl-[(2,6-dioxopiperidin-3-yl)carbamoyl]amino]acetic acid

C12H19N3O5 — CID 79256698

IUPAC2-[tert-butyl-[(2,6-dioxopiperidin-3-yl)carbamoyl]amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)C(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C12H19N3O5/c1-12(2,3)15(6-9(17)18)11(20)13-7-4-5-8(16)14-10(7)19/h7H,4-6H2,1-3H3,(H,13,20)(H,17,18)(H,14,16,19)
InChIKeyZHYFYSWPOBHXBU-UHFFFAOYSA-N
MW285.30 g/mol
LogP-0.31
Rot. Bonds3

About 2-[tert-butyl-[(2,6-dioxopiperidin-3-yl)carbamoyl]amino]acetic acid

2-[tert-butyl-[(2,6-dioxopiperidin-3-yl)carbamoyl]amino]acetic acid (PubChem CID 79256698) has the molecular formula C12H19N3O5 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-[tert-butyl-[(2,6-dioxopiperidin-3-yl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-[(2,6-dioxopiperidin-3-yl)carbamoyl]amino]acetic acid
PubChem CID79256698
Molecular FormulaC12H19N3O5
Molecular Weight285.30 g/mol
Exact Mass285.13
IUPAC Name2-[tert-butyl-[(2,6-dioxopiperidin-3-yl)carbamoyl]amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)C(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C12H19N3O5/c1-12(2,3)15(6-9(17)18)11(20)13-7-4-5-8(16)14-10(7)19/h7H,4-6H2,1-3H3,(H,13,20)(H,17,18)(H,14,16,19)
InChIKeyZHYFYSWPOBHXBU-UHFFFAOYSA-N
XLogP-0.31
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[(2,6-dioxopiperidin-3-yl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[tert-butyl-[(2,6-dioxopiperidin-3-yl)carbamoyl]amino]acetic acid (CID 79256698) is 2-[tert-butyl-[(2,6-dioxopiperidin-3-yl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-[(2,6-dioxopiperidin-3-yl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-[(2,6-dioxopiperidin-3-yl)carbamoyl]amino]acetic acid is CC(C)(C)N(CC(=O)O)C(=O)NC1CCC(=O)NC1=O.
What is the InChIKey of 2-[tert-butyl-[(2,6-dioxopiperidin-3-yl)carbamoyl]amino]acetic acid?
The InChIKey is ZHYFYSWPOBHXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O5/c1-12(2,3)15(6-9(17)18)11(20)13-7-4-5-8(16)14-10(7)19/h7H,4-6H2,1-3H3,(H,13,20)(H,17,18)(H,14,16,19).
What are the key properties of 2-[tert-butyl-[(2,6-dioxopiperidin-3-yl)carbamoyl]amino]acetic acid?
2-[tert-butyl-[(2,6-dioxopiperidin-3-yl)carbamoyl]amino]acetic acid has a molecular weight of 285.30 g/mol, XLogP of -0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[(2,6-dioxopiperidin-3-yl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 79256698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).