4-[(4-acetylpiperazine-1-carbonyl)amino]-4-oxobutanoic acid

C11H17N3O5 — CID 28746387

IUPAC4-[(4-acetylpiperazine-1-carbonyl)amino]-4-oxobutanoic acid
SMILESCC(=O)N1CCN(C(=O)NC(=O)CCC(=O)O)CC1
InChIInChI=1S/C11H17N3O5/c1-8(15)13-4-6-14(7-5-13)11(19)12-9(16)2-3-10(17)18/h2-7H2,1H3,(H,17,18)(H,12,16,19)
InChIKeyDQLUHMHVXMFMPA-UHFFFAOYSA-N
MW271.27 g/mol
LogP-0.75
Rot. Bonds3

About 4-[(4-acetylpiperazine-1-carbonyl)amino]-4-oxobutanoic acid

4-[(4-acetylpiperazine-1-carbonyl)amino]-4-oxobutanoic acid (PubChem CID 28746387) has the molecular formula C11H17N3O5 and a molecular weight of 271.27 g/mol. Its IUPAC name is 4-[(4-acetylpiperazine-1-carbonyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(4-acetylpiperazine-1-carbonyl)amino]-4-oxobutanoic acid
PubChem CID28746387
Molecular FormulaC11H17N3O5
Molecular Weight271.27 g/mol
Exact Mass271.12
IUPAC Name4-[(4-acetylpiperazine-1-carbonyl)amino]-4-oxobutanoic acid
SMILESCC(=O)N1CCN(C(=O)NC(=O)CCC(=O)O)CC1
InChIInChI=1S/C11H17N3O5/c1-8(15)13-4-6-14(7-5-13)11(19)12-9(16)2-3-10(17)18/h2-7H2,1H3,(H,17,18)(H,12,16,19)
InChIKeyDQLUHMHVXMFMPA-UHFFFAOYSA-N
XLogP-0.75
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-oxo-6-[(4-propan-2-ylpiperazine-1-carbonyl)amino]hexanoic acid
CID 43585543
6-oxo-6-(piperidine-1-carbonylamino)hexanoic acid
CID 43447360
4-[(3-methoxypyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 103535057
5-(morpholine-4-carbonylamino)-5-oxopentanoic acid
CID 28931672
6-[(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]-6-oxohexanoic acid
CID 43581886
4-(1,3-dihydroisoindole-2-carbonylamino)-4-oxobutanoic acid
CID 55050342
4-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 115534957
4-[(2,4-dimethylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 62331638
4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-oxobutanoic acid
CID 28746570
5-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid
CID 63978254
4-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 54885988
5-[(3-ethyl-4-methylpiperazine-1-carbonyl)amino]-5-oxopentanoic acid
CID 63621909

Frequently Asked Questions

What is the IUPAC name of 4-[(4-acetylpiperazine-1-carbonyl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-[(4-acetylpiperazine-1-carbonyl)amino]-4-oxobutanoic acid (CID 28746387) is 4-[(4-acetylpiperazine-1-carbonyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[(4-acetylpiperazine-1-carbonyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[(4-acetylpiperazine-1-carbonyl)amino]-4-oxobutanoic acid is CC(=O)N1CCN(C(=O)NC(=O)CCC(=O)O)CC1.
What is the InChIKey of 4-[(4-acetylpiperazine-1-carbonyl)amino]-4-oxobutanoic acid?
The InChIKey is DQLUHMHVXMFMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5/c1-8(15)13-4-6-14(7-5-13)11(19)12-9(16)2-3-10(17)18/h2-7H2,1H3,(H,17,18)(H,12,16,19).
What are the key properties of 4-[(4-acetylpiperazine-1-carbonyl)amino]-4-oxobutanoic acid?
4-[(4-acetylpiperazine-1-carbonyl)amino]-4-oxobutanoic acid has a molecular weight of 271.27 g/mol, XLogP of -0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-acetylpiperazine-1-carbonyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 28746387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).