3,3-dimethyl-5-oxo-5-[2-(2-oxoimidazolidin-1-yl)ethylamino]pentanoic acid

C12H21N3O4 — CID 2810717

IUPAC3,3-dimethyl-5-oxo-5-[2-(2-oxoimidazolidin-1-yl)ethylamino]pentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)NCCN1CCNC1=O
InChIInChI=1S/C12H21N3O4/c1-12(2,8-10(17)18)7-9(16)13-3-5-15-6-4-14-11(15)19/h3-8H2,1-2H3,(H,13,16)(H,14,19)(H,17,18)
InChIKeyDJDFICKJLLVXQR-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.02
Rot. Bonds7

About 3,3-dimethyl-5-oxo-5-[2-(2-oxoimidazolidin-1-yl)ethylamino]pentanoic acid

3,3-dimethyl-5-oxo-5-[2-(2-oxoimidazolidin-1-yl)ethylamino]pentanoic acid (PubChem CID 2810717) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3,3-dimethyl-5-oxo-5-[2-(2-oxoimidazolidin-1-yl)ethylamino]pentanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-5-oxo-5-[2-(2-oxoimidazolidin-1-yl)ethylamino]pentanoic acid
PubChem CID2810717
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name3,3-dimethyl-5-oxo-5-[2-(2-oxoimidazolidin-1-yl)ethylamino]pentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)NCCN1CCNC1=O
InChIInChI=1S/C12H21N3O4/c1-12(2,8-10(17)18)7-9(16)13-3-5-15-6-4-14-11(15)19/h3-8H2,1-2H3,(H,13,16)(H,14,19)(H,17,18)
InChIKeyDJDFICKJLLVXQR-UHFFFAOYSA-N
XLogP0.02
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-oxo-5-[2-(2-oxoimidazolidin-1-yl)ethylamino]pentanoic acid?
The IUPAC name of 3,3-dimethyl-5-oxo-5-[2-(2-oxoimidazolidin-1-yl)ethylamino]pentanoic acid (CID 2810717) is 3,3-dimethyl-5-oxo-5-[2-(2-oxoimidazolidin-1-yl)ethylamino]pentanoic acid.
What is the SMILES notation for 3,3-dimethyl-5-oxo-5-[2-(2-oxoimidazolidin-1-yl)ethylamino]pentanoic acid?
The canonical SMILES for 3,3-dimethyl-5-oxo-5-[2-(2-oxoimidazolidin-1-yl)ethylamino]pentanoic acid is CC(C)(CC(=O)O)CC(=O)NCCN1CCNC1=O.
What is the InChIKey of 3,3-dimethyl-5-oxo-5-[2-(2-oxoimidazolidin-1-yl)ethylamino]pentanoic acid?
The InChIKey is DJDFICKJLLVXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-12(2,8-10(17)18)7-9(16)13-3-5-15-6-4-14-11(15)19/h3-8H2,1-2H3,(H,13,16)(H,14,19)(H,17,18).
What are the key properties of 3,3-dimethyl-5-oxo-5-[2-(2-oxoimidazolidin-1-yl)ethylamino]pentanoic acid?
3,3-dimethyl-5-oxo-5-[2-(2-oxoimidazolidin-1-yl)ethylamino]pentanoic acid has a molecular weight of 271.32 g/mol, XLogP of 0.02, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-oxo-5-[2-(2-oxoimidazolidin-1-yl)ethylamino]pentanoic acid is sourced from PubChem (CID 2810717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).