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

C11H21N3O4 — CID 114538651

IUPAC2-hydroxy-3-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]propanoic acid
SMILESCC1CN(C(=O)NCC(O)C(=O)O)CC(C)N1C
InChIInChI=1S/C11H21N3O4/c1-7-5-14(6-8(2)13(7)3)11(18)12-4-9(15)10(16)17/h7-9,15H,4-6H2,1-3H3,(H,12,18)(H,16,17)
InChIKeyMIPHZUUFFKEUNO-UHFFFAOYSA-N
MW259.31 g/mol
LogP-0.83
Rot. Bonds3

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

2-hydroxy-3-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]propanoic acid (PubChem CID 114538651) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-hydroxy-3-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]propanoic acid
PubChem CID114538651
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name2-hydroxy-3-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]propanoic acid
SMILESCC1CN(C(=O)NCC(O)C(=O)O)CC(C)N1C
InChIInChI=1S/C11H21N3O4/c1-7-5-14(6-8(2)13(7)3)11(18)12-4-9(15)10(16)17/h7-9,15H,4-6H2,1-3H3,(H,12,18)(H,16,17)
InChIKeyMIPHZUUFFKEUNO-UHFFFAOYSA-N
XLogP-0.83
TPSA93.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]propanoic acid
CID 114538694
(2S)-2-hydroxy-3-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]propanoic acid
CID 114007789
3-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-2-hydroxypropanoic acid
CID 104968030
(2S)-2-hydroxy-3-[(4-methylazepane-1-carbonyl)amino]propanoic acid
CID 107839970
(2S)-3-(azocane-1-carbonylamino)-2-hydroxypropanoic acid
CID 107838219
3-(azocane-1-carbonylamino)-2-hydroxypropanoic acid
CID 66165088
(2R)-2-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]propanoic acid
CID 104937472
(2S)-2-hydroxy-3-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 107840590
2-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]pentanedioic acid
CID 114538855
2-hydroxy-3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]propanoic acid
CID 66167975
(2S)-2-hydroxy-3-[(3-propoxypiperidine-1-carbonyl)amino]propanoic acid
CID 107839175
(2S)-2-hydroxy-3-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]propanoic acid
CID 107840674

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]propanoic acid?
The IUPAC name of 2-hydroxy-3-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]propanoic acid (CID 114538651) is 2-hydroxy-3-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-hydroxy-3-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-hydroxy-3-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]propanoic acid is CC1CN(C(=O)NCC(O)C(=O)O)CC(C)N1C.
What is the InChIKey of 2-hydroxy-3-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]propanoic acid?
The InChIKey is MIPHZUUFFKEUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-7-5-14(6-8(2)13(7)3)11(18)12-4-9(15)10(16)17/h7-9,15H,4-6H2,1-3H3,(H,12,18)(H,16,17).
What are the key properties of 2-hydroxy-3-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]propanoic acid?
2-hydroxy-3-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]propanoic acid has a molecular weight of 259.31 g/mol, XLogP of -0.83, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 114538651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).