2-[2-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]-2-oxoethoxy]acetic acid

C11H17N3O6 — CID 63605611

IUPAC2-[2-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]-2-oxoethoxy]acetic acid
SMILESCCC1C(=O)NCCN1C(=O)NC(=O)COCC(=O)O
InChIInChI=1S/C11H17N3O6/c1-2-7-10(18)12-3-4-14(7)11(19)13-8(15)5-20-6-9(16)17/h7H,2-6H2,1H3,(H,12,18)(H,16,17)(H,13,15,19)
InChIKeyNFKZDAPFPYASHQ-UHFFFAOYSA-N
MW287.27 g/mol
LogP-1.47
Rot. Bonds5

About 2-[2-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]-2-oxoethoxy]acetic acid

2-[2-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]-2-oxoethoxy]acetic acid (PubChem CID 63605611) has the molecular formula C11H17N3O6 and a molecular weight of 287.27 g/mol. Its IUPAC name is 2-[2-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]-2-oxoethoxy]acetic acid
PubChem CID63605611
Molecular FormulaC11H17N3O6
Molecular Weight287.27 g/mol
Exact Mass287.11
IUPAC Name2-[2-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]-2-oxoethoxy]acetic acid
SMILESCCC1C(=O)NCCN1C(=O)NC(=O)COCC(=O)O
InChIInChI=1S/C11H17N3O6/c1-2-7-10(18)12-3-4-14(7)11(19)13-8(15)5-20-6-9(16)17/h7H,2-6H2,1H3,(H,12,18)(H,16,17)(H,13,15,19)
InChIKeyNFKZDAPFPYASHQ-UHFFFAOYSA-N
XLogP-1.47
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 5-1.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]-2-oxoethoxy]acetic acid (CID 63605611) is 2-[2-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]-2-oxoethoxy]acetic acid is CCC1C(=O)NCCN1C(=O)NC(=O)COCC(=O)O.
What is the InChIKey of 2-[2-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]-2-oxoethoxy]acetic acid?
The InChIKey is NFKZDAPFPYASHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O6/c1-2-7-10(18)12-3-4-14(7)11(19)13-8(15)5-20-6-9(16)17/h7H,2-6H2,1H3,(H,12,18)(H,16,17)(H,13,15,19).
What are the key properties of 2-[2-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]-2-oxoethoxy]acetic acid?
2-[2-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]-2-oxoethoxy]acetic acid has a molecular weight of 287.27 g/mol, XLogP of -1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 63605611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).