2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoacetic acid

C10H18N2O3 — CID 2051289

IUPAC2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoacetic acid
SMILESCC(C)CN1CCN(C(=O)C(=O)O)CC1
InChIInChI=1S/C10H18N2O3/c1-8(2)7-11-3-5-12(6-4-11)9(13)10(14)15/h8H,3-7H2,1-2H3,(H,14,15)
InChIKeyBOTNFCTYKJBUMU-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.13
Rot. Bonds2

About 2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoacetic acid

2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoacetic acid (PubChem CID 2051289) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoacetic acid
PubChem CID2051289
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoacetic acid
SMILESCC(C)CN1CCN(C(=O)C(=O)O)CC1
InChIInChI=1S/C10H18N2O3/c1-8(2)7-11-3-5-12(6-4-11)9(13)10(14)15/h8H,3-7H2,1-2H3,(H,14,15)
InChIKeyBOTNFCTYKJBUMU-UHFFFAOYSA-N
XLogP-0.13
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 2756453
4-(2-methylpropyl)piperazine-1-carbonyl chloride
CID 79887256
[4-(2-methylpropyl)piperazin-1-yl]-piperidin-1-ylmethanone
CID 70534208
2-[4-(2-methylpropyl)piperazin-1-yl]acetic acid;dihydrochloride
CID 53420787
3-[4-(2-methylpropyl)piperazin-1-yl]butanoic acid
CID 62777980
(2S)-2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119831591
2-[1-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrrolidin-2-yl]acetic acid
CID 62777322
2-[4-(2-methylpropyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 60950003
1-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid
CID 62776977
[4-(2-methylpropyl)piperazin-1-yl]-piperazin-1-ylmethanone
CID 62775488
N-ethyl-4-(2-methylpropyl)piperazine-1-carboxamide
CID 115569927
2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]but-2-enoic acid
CID 77074078

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoacetic acid?
The IUPAC name of 2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoacetic acid (CID 2051289) is 2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoacetic acid.
What is the SMILES notation for 2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoacetic acid?
The canonical SMILES for 2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoacetic acid is CC(C)CN1CCN(C(=O)C(=O)O)CC1.
What is the InChIKey of 2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoacetic acid?
The InChIKey is BOTNFCTYKJBUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-8(2)7-11-3-5-12(6-4-11)9(13)10(14)15/h8H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoacetic acid?
2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoacetic acid has a molecular weight of 214.26 g/mol, XLogP of -0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoacetic acid is sourced from PubChem (CID 2051289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).