2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]propanoic acid

C9H18N2O2 — CID 146529570

IUPAC2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1C[C@H](C)NC[C@H]1C
InChIInChI=1S/C9H18N2O2/c1-6-5-11(7(2)4-10-6)8(3)9(12)13/h6-8,10H,4-5H2,1-3H3,(H,12,13)/t6-,7+,8?/m0/s1
InChIKeyGFPRBIKGJJRCKO-KJFJCRTCSA-N
MW186.25 g/mol
LogP0.14
Rot. Bonds2

About 2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]propanoic acid

2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]propanoic acid (PubChem CID 146529570) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]propanoic acid
PubChem CID146529570
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1C[C@H](C)NC[C@H]1C
InChIInChI=1S/C9H18N2O2/c1-6-5-11(7(2)4-10-6)8(3)9(12)13/h6-8,10H,4-5H2,1-3H3,(H,12,13)/t6-,7+,8?/m0/s1
InChIKeyGFPRBIKGJJRCKO-KJFJCRTCSA-N
XLogP0.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylpiperazin-1-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 64980370
2-(2,5-dimethylpiperazin-1-yl)pentanoic acid
CID 83048854
N-butan-2-yl-2-(2,5-dimethylpiperazin-1-yl)propanamide
CID 64980597
(2R)-2,5-dimethylpiperazine-1-carboxylic acid
CID 175405538
1-but-3-en-2-yl-2,5-dimethylpiperazine
CID 64980427
1-(dicyclopropylmethyl)-2,5-dimethylpiperazine
CID 64937752
2-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]propanoic acid
CID 119136186
2,5-dimethyl-1-(6-methylheptan-2-yl)piperazine
CID 64938696
1-(2,5-dimethylpiperazin-1-yl)ethanone
CID 20691603
propan-2-yl 2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-2-(4-fluorophenyl)acetate
CID 156538836
1-(1-ethoxypropan-2-yl)-2,5-dimethylpiperazine
CID 64938351
1-(4-methoxy-4-methylpentan-2-yl)-2,5-dimethylpiperazine
CID 64979655

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]propanoic acid?
The IUPAC name of 2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]propanoic acid (CID 146529570) is 2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]propanoic acid is CC(C(=O)O)N1C[C@H](C)NC[C@H]1C.
What is the InChIKey of 2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]propanoic acid?
The InChIKey is GFPRBIKGJJRCKO-KJFJCRTCSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-6-5-11(7(2)4-10-6)8(3)9(12)13/h6-8,10H,4-5H2,1-3H3,(H,12,13)/t6-,7+,8?/m0/s1.
What are the key properties of 2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]propanoic acid?
2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]propanoic acid has a molecular weight of 186.25 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]propanoic acid is sourced from PubChem (CID 146529570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).