2-(2-methylpiperazin-1-yl)butanoic acid

C9H18N2O2 — CID 64663395

IUPAC2-(2-methylpiperazin-1-yl)butanoic acid
SMILESCCC(C(=O)O)N1CCNCC1C
InChIInChI=1S/C9H18N2O2/c1-3-8(9(12)13)11-5-4-10-6-7(11)2/h7-8,10H,3-6H2,1-2H3,(H,12,13)
InChIKeyWVIZTHMAUZKCTQ-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.14
Rot. Bonds3

About 2-(2-methylpiperazin-1-yl)butanoic acid

2-(2-methylpiperazin-1-yl)butanoic acid (PubChem CID 64663395) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-(2-methylpiperazin-1-yl)butanoic acid.

Molecular Properties

Compound Name2-(2-methylpiperazin-1-yl)butanoic acid
PubChem CID64663395
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-(2-methylpiperazin-1-yl)butanoic acid
SMILESCCC(C(=O)O)N1CCNCC1C
InChIInChI=1S/C9H18N2O2/c1-3-8(9(12)13)11-5-4-10-6-7(11)2/h7-8,10H,3-6H2,1-2H3,(H,12,13)
InChIKeyWVIZTHMAUZKCTQ-UHFFFAOYSA-N
XLogP0.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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-methyl-3-[(2R)-2-methylpiperazin-1-yl]butanoic acid
CID 82761791
3-[(2S)-2-methylpiperazin-1-yl]butanoic acid
CID 82755213
N-butan-2-yl-2-(2-methylpiperazin-1-yl)propanamide
CID 62671760
2-ethyl-1-[(2R)-2-methylpiperazin-1-yl]butan-1-one
CID 82756442
(2R)-2-piperazin-1-ylbutanoic acid
CID 7200835
2-[4-(diethylamino)phenyl]-2-(2-methylpiperazin-1-yl)acetic acid
CID 83978214
(2R)-2-methyl-1-propan-2-ylpiperazine;2,2,2-trifluoroacetic acid
CID 135347784
(2R)-2-methyl-1-[(2S)-pentan-2-yl]piperazine
CID 124680628
(2R)-2-amino-1-[(2S)-2-methylpiperazin-1-yl]butan-1-one;hydrochloride
CID 130757949
2-(2-methylpiperazin-1-yl)-2-(2,4,5-trimethoxyphenyl)acetic acid
CID 83979929
2-methyl-1-propylpiperazine;2,2,2-trifluoroacetic acid
CID 174972322
N-methyl-2-[(2R)-2-methylpiperazin-1-yl]propanamide
CID 82761351

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpiperazin-1-yl)butanoic acid?
The IUPAC name of 2-(2-methylpiperazin-1-yl)butanoic acid (CID 64663395) is 2-(2-methylpiperazin-1-yl)butanoic acid.
What is the SMILES notation for 2-(2-methylpiperazin-1-yl)butanoic acid?
The canonical SMILES for 2-(2-methylpiperazin-1-yl)butanoic acid is CCC(C(=O)O)N1CCNCC1C.
What is the InChIKey of 2-(2-methylpiperazin-1-yl)butanoic acid?
The InChIKey is WVIZTHMAUZKCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-3-8(9(12)13)11-5-4-10-6-7(11)2/h7-8,10H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 2-(2-methylpiperazin-1-yl)butanoic acid?
2-(2-methylpiperazin-1-yl)butanoic acid has a molecular weight of 186.25 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpiperazin-1-yl)butanoic acid is sourced from PubChem (CID 64663395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).