2-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]oxyacetic acid

C10H19N3O4 — CID 114538809

IUPAC2-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]oxyacetic acid
SMILESCC1CN(C(=O)NOCC(=O)O)CC(C)N1C
InChIInChI=1S/C10H19N3O4/c1-7-4-13(5-8(2)12(7)3)10(16)11-17-6-9(14)15/h7-8H,4-6H2,1-3H3,(H,11,16)(H,14,15)
InChIKeyVYBXGCFTWDGZPA-UHFFFAOYSA-N
MW245.28 g/mol
LogP-0.26
Rot. Bonds3

About 2-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]oxyacetic acid

2-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]oxyacetic acid (PubChem CID 114538809) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]oxyacetic acid.

Molecular Properties

Compound Name2-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]oxyacetic acid
PubChem CID114538809
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name2-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]oxyacetic acid
SMILESCC1CN(C(=O)NOCC(=O)O)CC(C)N1C
InChIInChI=1S/C10H19N3O4/c1-7-4-13(5-8(2)12(7)3)10(16)11-17-6-9(14)15/h7-8H,4-6H2,1-3H3,(H,11,16)(H,14,15)
InChIKeyVYBXGCFTWDGZPA-UHFFFAOYSA-N
XLogP-0.26
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]oxyacetic acid
CID 102933782
(3S,5R)-3,4,5-trimethylpiperazine-1-carboxylic acid
CID 68968098
2-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]pentanedioic acid
CID 114538855
2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]oxyacetic acid
CID 113498394
(2R)-2-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]propanoic acid
CID 104937472
2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]oxyacetic acid
CID 113498302
2-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]oxyacetic acid
CID 102744885
2-methyl-3-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]propanoic acid
CID 114538694
2-hydroxy-3-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]propanoic acid
CID 114538651
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carbonylamino)oxyacetic acid
CID 113498355
2-[2-oxo-2-(3,4,5-trimethylpiperazin-1-yl)ethyl]sulfanylacetic acid
CID 114543531
4-methylsulfanyl-2-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]butanoic acid
CID 114538840

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]oxyacetic acid?
The IUPAC name of 2-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]oxyacetic acid (CID 114538809) is 2-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]oxyacetic acid.
What is the SMILES notation for 2-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]oxyacetic acid?
The canonical SMILES for 2-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]oxyacetic acid is CC1CN(C(=O)NOCC(=O)O)CC(C)N1C.
What is the InChIKey of 2-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]oxyacetic acid?
The InChIKey is VYBXGCFTWDGZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-7-4-13(5-8(2)12(7)3)10(16)11-17-6-9(14)15/h7-8H,4-6H2,1-3H3,(H,11,16)(H,14,15).
What are the key properties of 2-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]oxyacetic acid?
2-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]oxyacetic acid has a molecular weight of 245.28 g/mol, XLogP of -0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]oxyacetic acid is sourced from PubChem (CID 114538809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).