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

C12H23N3O3 — CID 114538694

IUPAC2-methyl-3-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]propanoic acid
SMILESCC(CNC(=O)N1CC(C)N(C)C(C)C1)C(=O)O
InChIInChI=1S/C12H23N3O3/c1-8(11(16)17)5-13-12(18)15-6-9(2)14(4)10(3)7-15/h8-10H,5-7H2,1-4H3,(H,13,18)(H,16,17)
InChIKeyUEGYJPVOUSJHPU-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.44
Rot. Bonds3

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

2-methyl-3-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]propanoic acid (PubChem CID 114538694) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-methyl-3-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]propanoic acid
PubChem CID114538694
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name2-methyl-3-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]propanoic acid
SMILESCC(CNC(=O)N1CC(C)N(C)C(C)C1)C(=O)O
InChIInChI=1S/C12H23N3O3/c1-8(11(16)17)5-13-12(18)15-6-9(2)14(4)10(3)7-15/h8-10H,5-7H2,1-4H3,(H,13,18)(H,16,17)
InChIKeyUEGYJPVOUSJHPU-UHFFFAOYSA-N
XLogP0.44
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-3-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]propanoic acid
CID 114538651
3-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-methylpropanoic acid
CID 104959652
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)-2-methylpropanoic acid
CID 115560898
(2R)-2-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]propanoic acid
CID 104937472
3-(azocane-1-carbonylamino)-2-methylpropanoic acid
CID 62669756
3-(azepane-1-carbonylamino)-2-methylpropanoic acid
CID 62671321
3-[(4-hydroxypiperidine-1-carbonyl)amino]-2-methylpropanoic acid
CID 62670284
2-methyl-3-[(4-propan-2-ylpiperidine-1-carbonyl)amino]propanoic acid
CID 103500221
2-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]pentanedioic acid
CID 114538855
3-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]-2-methylpropanoic acid
CID 62670111
3-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-2-methylpropanoic acid
CID 81204422
4-methylsulfanyl-2-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]butanoic acid
CID 114538840

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]propanoic acid (CID 114538694) is 2-methyl-3-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]propanoic acid is CC(CNC(=O)N1CC(C)N(C)C(C)C1)C(=O)O.
What is the InChIKey of 2-methyl-3-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]propanoic acid?
The InChIKey is UEGYJPVOUSJHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-8(11(16)17)5-13-12(18)15-6-9(2)14(4)10(3)7-15/h8-10H,5-7H2,1-4H3,(H,13,18)(H,16,17).
What are the key properties of 2-methyl-3-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]propanoic acid?
2-methyl-3-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]propanoic acid has a molecular weight of 257.33 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 114538694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).