(2S)-3-methyl-2-piperazin-1-ylbutanoic acid

C9H18N2O2 — CID 28742959

IUPAC(2S)-3-methyl-2-piperazin-1-ylbutanoic acid
SMILESCC(C)[C@@H](C(=O)O)N1CCNCC1
InChIInChI=1S/C9H18N2O2/c1-7(2)8(9(12)13)11-5-3-10-4-6-11/h7-8,10H,3-6H2,1-2H3,(H,12,13)/t8-/m0/s1
InChIKeyLPADQACJEPZUHM-QMMMGPOBSA-N
MW186.25 g/mol
LogP0.00
Rot. Bonds3

About (2S)-3-methyl-2-piperazin-1-ylbutanoic acid

(2S)-3-methyl-2-piperazin-1-ylbutanoic acid (PubChem CID 28742959) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2S)-3-methyl-2-piperazin-1-ylbutanoic acid.

Molecular Properties

Compound Name(2S)-3-methyl-2-piperazin-1-ylbutanoic acid
PubChem CID28742959
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(2S)-3-methyl-2-piperazin-1-ylbutanoic acid
SMILESCC(C)[C@@H](C(=O)O)N1CCNCC1
InChIInChI=1S/C9H18N2O2/c1-7(2)8(9(12)13)11-5-3-10-4-6-11/h7-8,10H,3-6H2,1-2H3,(H,12,13)/t8-/m0/s1
InChIKeyLPADQACJEPZUHM-QMMMGPOBSA-N
XLogP0.00
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 ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-piperazin-1-ylbutanoic acid?
The IUPAC name of (2S)-3-methyl-2-piperazin-1-ylbutanoic acid (CID 28742959) is (2S)-3-methyl-2-piperazin-1-ylbutanoic acid.
What is the SMILES notation for (2S)-3-methyl-2-piperazin-1-ylbutanoic acid?
The canonical SMILES for (2S)-3-methyl-2-piperazin-1-ylbutanoic acid is CC(C)[C@@H](C(=O)O)N1CCNCC1.
What is the InChIKey of (2S)-3-methyl-2-piperazin-1-ylbutanoic acid?
The InChIKey is LPADQACJEPZUHM-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7(2)8(9(12)13)11-5-3-10-4-6-11/h7-8,10H,3-6H2,1-2H3,(H,12,13)/t8-/m0/s1.
What are the key properties of (2S)-3-methyl-2-piperazin-1-ylbutanoic acid?
(2S)-3-methyl-2-piperazin-1-ylbutanoic acid has a molecular weight of 186.25 g/mol, XLogP of 0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-piperazin-1-ylbutanoic acid is sourced from PubChem (CID 28742959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).