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

C12H21N3O4 — CID 79257016

IUPAC2-[tert-butyl-[(6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)C(=O)NC1CCC(=O)NC1
InChIInChI=1S/C12H21N3O4/c1-12(2,3)15(7-10(17)18)11(19)14-8-4-5-9(16)13-6-8/h8H,4-7H2,1-3H3,(H,13,16)(H,14,19)(H,17,18)
InChIKeyHVSRGCWJARKQIS-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.16
Rot. Bonds3

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

2-[tert-butyl-[(6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid (PubChem CID 79257016) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[tert-butyl-[(6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-[(6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid
PubChem CID79257016
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name2-[tert-butyl-[(6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)C(=O)NC1CCC(=O)NC1
InChIInChI=1S/C12H21N3O4/c1-12(2,3)15(7-10(17)18)11(19)14-8-4-5-9(16)13-6-8/h8H,4-7H2,1-3H3,(H,13,16)(H,14,19)(H,17,18)
InChIKeyHVSRGCWJARKQIS-UHFFFAOYSA-N
XLogP0.16
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[(6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[tert-butyl-[(6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid (CID 79257016) is 2-[tert-butyl-[(6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-[(6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-[(6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid is CC(C)(C)N(CC(=O)O)C(=O)NC1CCC(=O)NC1.
What is the InChIKey of 2-[tert-butyl-[(6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid?
The InChIKey is HVSRGCWJARKQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-12(2,3)15(7-10(17)18)11(19)14-8-4-5-9(16)13-6-8/h8H,4-7H2,1-3H3,(H,13,16)(H,14,19)(H,17,18).
What are the key properties of 2-[tert-butyl-[(6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid?
2-[tert-butyl-[(6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid has a molecular weight of 271.32 g/mol, XLogP of 0.16, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[(6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 79257016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).