2-methyl-3-[(2R)-2-methylpiperazin-1-yl]butanoic acid

C10H20N2O2 — CID 82761791

IUPAC2-methyl-3-[(2R)-2-methylpiperazin-1-yl]butanoic acid
SMILESCC(C(=O)O)C(C)N1CCNC[C@H]1C
InChIInChI=1S/C10H20N2O2/c1-7-6-11-4-5-12(7)9(3)8(2)10(13)14/h7-9,11H,4-6H2,1-3H3,(H,13,14)/t7-,8?,9?/m1/s1
InChIKeyYIRYTMUGCHTKHS-AFPNSQJFSA-N
MW200.28 g/mol
LogP0.39
Rot. Bonds3

About 2-methyl-3-[(2R)-2-methylpiperazin-1-yl]butanoic acid

2-methyl-3-[(2R)-2-methylpiperazin-1-yl]butanoic acid (PubChem CID 82761791) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-methyl-3-[(2R)-2-methylpiperazin-1-yl]butanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(2R)-2-methylpiperazin-1-yl]butanoic acid
PubChem CID82761791
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2-methyl-3-[(2R)-2-methylpiperazin-1-yl]butanoic acid
SMILESCC(C(=O)O)C(C)N1CCNC[C@H]1C
InChIInChI=1S/C10H20N2O2/c1-7-6-11-4-5-12(7)9(3)8(2)10(13)14/h7-9,11H,4-6H2,1-3H3,(H,13,14)/t7-,8?,9?/m1/s1
InChIKeyYIRYTMUGCHTKHS-AFPNSQJFSA-N
XLogP0.39
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2S)-2-methylpiperazin-1-yl]butanoic acid
CID 82755213
2-(2-methylpiperazin-1-yl)butanoic acid
CID 64663395
(2R)-2-methyl-1-propan-2-ylpiperazine;2,2,2-trifluoroacetic acid
CID 135347784
(2S)-2-methyl-1-propan-2-ylpiperazine;dihydrochloride
CID 57463733
N-methyl-2-[(2R)-2-methylpiperazin-1-yl]propanamide
CID 82761351
2-[(2R)-2-methylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 82755930
N-butan-2-yl-2-(2-methylpiperazin-1-yl)propanamide
CID 62671760
2-amino-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 128920292
(2S)-2-amino-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 128923025
(2R)-2-methyl-1-[(2S)-pentan-2-yl]piperazine
CID 124680628
2-[(2R)-2-methylpiperazin-1-yl]propanenitrile
CID 82755717
2-(2-methylpiperazin-1-yl)-2-(2,4,5-trimethoxyphenyl)acetic acid
CID 83979929

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2R)-2-methylpiperazin-1-yl]butanoic acid?
The IUPAC name of 2-methyl-3-[(2R)-2-methylpiperazin-1-yl]butanoic acid (CID 82761791) is 2-methyl-3-[(2R)-2-methylpiperazin-1-yl]butanoic acid.
What is the SMILES notation for 2-methyl-3-[(2R)-2-methylpiperazin-1-yl]butanoic acid?
The canonical SMILES for 2-methyl-3-[(2R)-2-methylpiperazin-1-yl]butanoic acid is CC(C(=O)O)C(C)N1CCNC[C@H]1C.
What is the InChIKey of 2-methyl-3-[(2R)-2-methylpiperazin-1-yl]butanoic acid?
The InChIKey is YIRYTMUGCHTKHS-AFPNSQJFSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-7-6-11-4-5-12(7)9(3)8(2)10(13)14/h7-9,11H,4-6H2,1-3H3,(H,13,14)/t7-,8?,9?/m1/s1.
What are the key properties of 2-methyl-3-[(2R)-2-methylpiperazin-1-yl]butanoic acid?
2-methyl-3-[(2R)-2-methylpiperazin-1-yl]butanoic acid has a molecular weight of 200.28 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2R)-2-methylpiperazin-1-yl]butanoic acid is sourced from PubChem (CID 82761791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).