2-[(3R)-3-methyl-2-oxo-4-[(1,4,5-trimethylimidazol-2-yl)methyl]piperazin-1-yl]acetic acid

C14H22N4O3 — CID 125446842

IUPAC2-[(3R)-3-methyl-2-oxo-4-[(1,4,5-trimethylimidazol-2-yl)methyl]piperazin-1-yl]acetic acid
SMILESCc1nc(CN2CCN(CC(=O)O)C(=O)[C@H]2C)n(C)c1C
InChIInChI=1S/C14H22N4O3/c1-9-10(2)16(4)12(15-9)7-17-5-6-18(8-13(19)20)14(21)11(17)3/h11H,5-8H2,1-4H3,(H,19,20)/t11-/m1/s1
InChIKeyOOQFMKYRGRGXPL-LLVKDONJSA-N
MW294.36 g/mol
LogP0.15
Rot. Bonds4

About 2-[(3R)-3-methyl-2-oxo-4-[(1,4,5-trimethylimidazol-2-yl)methyl]piperazin-1-yl]acetic acid

2-[(3R)-3-methyl-2-oxo-4-[(1,4,5-trimethylimidazol-2-yl)methyl]piperazin-1-yl]acetic acid (PubChem CID 125446842) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-[(3R)-3-methyl-2-oxo-4-[(1,4,5-trimethylimidazol-2-yl)methyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-3-methyl-2-oxo-4-[(1,4,5-trimethylimidazol-2-yl)methyl]piperazin-1-yl]acetic acid
PubChem CID125446842
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name2-[(3R)-3-methyl-2-oxo-4-[(1,4,5-trimethylimidazol-2-yl)methyl]piperazin-1-yl]acetic acid
SMILESCc1nc(CN2CCN(CC(=O)O)C(=O)[C@H]2C)n(C)c1C
InChIInChI=1S/C14H22N4O3/c1-9-10(2)16(4)12(15-9)7-17-5-6-18(8-13(19)20)14(21)11(17)3/h11H,5-8H2,1-4H3,(H,19,20)/t11-/m1/s1
InChIKeyOOQFMKYRGRGXPL-LLVKDONJSA-N
XLogP0.15
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3R)-3-methyl-2-oxo-4-[(1,4,5-trimethylimidazol-2-yl)methyl]piperazin-1-yl]acetic acid with MolForge

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Related Compounds

(3S)-1,3-dimethyl-4-[(1,4,5-trimethylimidazol-2-yl)methyl]piperazin-2-one
CID 164635519
2-[(3S)-4-(2,6-dimethylpyridine-4-carbonyl)-3-methyl-2-oxopiperazin-1-yl]acetic acid
CID 126435916
4-[(1,4,5-trimethylimidazol-2-yl)methyl]morpholine-2-carboxylic acid
CID 122570187
2-[[(3aR,6R,7aS)-3a-methoxy-1-[(1,4,5-trimethylimidazol-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]oxy]acetic acid
CID 118773785
3-[4-[(4-ethyl-2-methyl-3-oxopiperazin-1-yl)methyl]pyrazol-1-yl]propanoic acid
CID 74231336
4-propan-2-yl-1-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidine
CID 58395091
(4aS,8aS)-1-methyl-7-[(1,4,5-trimethylimidazol-2-yl)methyl]-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-4a-carboxylic acid
CID 134713383
2-[(3S)-3-(4-methylpiperidin-1-yl)-2-oxopiperidin-1-yl]acetic acid
CID 124848989
(3R)-3-methyl-1-(2-methylpropyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one
CID 125174779
2-[3-(4,5-dicyano-2-methylimidazol-1-yl)-2-oxopyrrolidin-1-yl]acetic acid
CID 154782879
(1R,3S)-3-methoxy-7-[(1,4,5-trimethylimidazol-2-yl)methyl]-7-azaspiro[3.5]nonan-1-ol
CID 72905116
3-(1,2,4-triazol-4-yl)-1-[4-[(1,4,5-trimethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]propan-1-one
CID 134703052

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-methyl-2-oxo-4-[(1,4,5-trimethylimidazol-2-yl)methyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[(3R)-3-methyl-2-oxo-4-[(1,4,5-trimethylimidazol-2-yl)methyl]piperazin-1-yl]acetic acid (CID 125446842) is 2-[(3R)-3-methyl-2-oxo-4-[(1,4,5-trimethylimidazol-2-yl)methyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[(3R)-3-methyl-2-oxo-4-[(1,4,5-trimethylimidazol-2-yl)methyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[(3R)-3-methyl-2-oxo-4-[(1,4,5-trimethylimidazol-2-yl)methyl]piperazin-1-yl]acetic acid is Cc1nc(CN2CCN(CC(=O)O)C(=O)[C@H]2C)n(C)c1C.
What is the InChIKey of 2-[(3R)-3-methyl-2-oxo-4-[(1,4,5-trimethylimidazol-2-yl)methyl]piperazin-1-yl]acetic acid?
The InChIKey is OOQFMKYRGRGXPL-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-9-10(2)16(4)12(15-9)7-17-5-6-18(8-13(19)20)14(21)11(17)3/h11H,5-8H2,1-4H3,(H,19,20)/t11-/m1/s1.
What are the key properties of 2-[(3R)-3-methyl-2-oxo-4-[(1,4,5-trimethylimidazol-2-yl)methyl]piperazin-1-yl]acetic acid?
2-[(3R)-3-methyl-2-oxo-4-[(1,4,5-trimethylimidazol-2-yl)methyl]piperazin-1-yl]acetic acid has a molecular weight of 294.36 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-methyl-2-oxo-4-[(1,4,5-trimethylimidazol-2-yl)methyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 125446842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).