(2R)-2,5-dimethylpiperazine-1-carboxylic acid

C7H14N2O2 — CID 175405538

IUPAC(2R)-2,5-dimethylpiperazine-1-carboxylic acid
SMILESCC1CN(C(=O)O)[C@H](C)CN1
InChIInChI=1S/C7H14N2O2/c1-5-4-9(7(10)11)6(2)3-8-5/h5-6,8H,3-4H2,1-2H3,(H,10,11)/t5?,6-/m1/s1
InChIKeyMVWFPRWHZFBWSY-PRJDIBJQSA-N
MW158.20 g/mol
LogP0.35
Rot. Bonds

About (2R)-2,5-dimethylpiperazine-1-carboxylic acid

(2R)-2,5-dimethylpiperazine-1-carboxylic acid (PubChem CID 175405538) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is (2R)-2,5-dimethylpiperazine-1-carboxylic acid.

Molecular Properties

Compound Name(2R)-2,5-dimethylpiperazine-1-carboxylic acid
PubChem CID175405538
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name(2R)-2,5-dimethylpiperazine-1-carboxylic acid
SMILESCC1CN(C(=O)O)[C@H](C)CN1
InChIInChI=1S/C7H14N2O2/c1-5-4-9(7(10)11)6(2)3-8-5/h5-6,8H,3-4H2,1-2H3,(H,10,11)/t5?,6-/m1/s1
InChIKeyMVWFPRWHZFBWSY-PRJDIBJQSA-N
XLogP0.35
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylpiperazin-1-yl)ethanone
CID 20691603
cyclopropyl-(2,5-dimethylpiperazin-1-yl)methanone
CID 64980051
tert-butyl (2S,5R)-2,5-dimethylpiperazine-1-carboxylate
CID 11745988
3-chloro-1-[(2R)-2,5-dimethylpiperazin-1-yl]propan-1-one
CID 155448457
(2S,5R)-2,5-dimethylpiperazine-1-carbodithioic acid
CID 21115232
1-(2,5-dimethylpiperazin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103309302
2-[(2S,5R)-2,5-dimethylpiperazin-1-yl]but-2-enediamide
CID 70403200
1-(2,5-dimethylpiperazin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112603434
butyl (2S,5R)-2,5-dimethylpiperazine-1-carboxylate
CID 94984333
butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate
CID 94984334
1-(2,5-dimethylpiperazin-1-yl)pent-4-en-1-one
CID 64979472
(3,5-dihydroxyphenyl)-(2,5-dimethylpiperazin-1-yl)methanone
CID 107702962

Frequently Asked Questions

What is the IUPAC name of (2R)-2,5-dimethylpiperazine-1-carboxylic acid?
The IUPAC name of (2R)-2,5-dimethylpiperazine-1-carboxylic acid (CID 175405538) is (2R)-2,5-dimethylpiperazine-1-carboxylic acid.
What is the SMILES notation for (2R)-2,5-dimethylpiperazine-1-carboxylic acid?
The canonical SMILES for (2R)-2,5-dimethylpiperazine-1-carboxylic acid is CC1CN(C(=O)O)[C@H](C)CN1.
What is the InChIKey of (2R)-2,5-dimethylpiperazine-1-carboxylic acid?
The InChIKey is MVWFPRWHZFBWSY-PRJDIBJQSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-5-4-9(7(10)11)6(2)3-8-5/h5-6,8H,3-4H2,1-2H3,(H,10,11)/t5?,6-/m1/s1.
What are the key properties of (2R)-2,5-dimethylpiperazine-1-carboxylic acid?
(2R)-2,5-dimethylpiperazine-1-carboxylic acid has a molecular weight of 158.20 g/mol, XLogP of 0.35, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,5-dimethylpiperazine-1-carboxylic acid is sourced from PubChem (CID 175405538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).