2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]propanoic acid

C10H17BrN2O2 — CID 62310293

IUPAC2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]propanoic acid
SMILESC=C(Br)CN1CCN(C(C)C(=O)O)CC1
InChIInChI=1S/C10H17BrN2O2/c1-8(11)7-12-3-5-13(6-4-12)9(2)10(14)15/h9H,1,3-7H2,2H3,(H,14,15)
InChIKeyKOZJLXZFTAVJON-UHFFFAOYSA-N
MW277.16 g/mol
LogP0.99
Rot. Bonds4

About 2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]propanoic acid

2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]propanoic acid (PubChem CID 62310293) has the molecular formula C10H17BrN2O2 and a molecular weight of 277.16 g/mol. Its IUPAC name is 2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]propanoic acid
PubChem CID62310293
Molecular FormulaC10H17BrN2O2
Molecular Weight277.16 g/mol
Exact Mass276.05
IUPAC Name2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]propanoic acid
SMILESC=C(Br)CN1CCN(C(C)C(=O)O)CC1
InChIInChI=1S/C10H17BrN2O2/c1-8(11)7-12-3-5-13(6-4-12)9(2)10(14)15/h9H,1,3-7H2,2H3,(H,14,15)
InChIKeyKOZJLXZFTAVJON-UHFFFAOYSA-N
XLogP0.99
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.16
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 95302580
2-[4-(1-carboxyethyl)-7-(2-oxobutyl)-1,4,7-triazonan-1-yl]propanoic acid
CID 156732078
2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanoic acid
CID 62310681
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]propanoic acid
CID 62309888
2-(4-propan-2-ylpiperazin-1-yl)propanoic acid
CID 43585425
(2R)-1-[4-(2-bromoprop-2-enyl)piperazin-1-yl]-2-hydroxypropan-1-one
CID 125136122
2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propanoic acid
CID 62312460
2-[4-(2-fluoroethyl)piperazin-1-yl]propanoic acid
CID 80695764
2-(4-prop-2-ynylpiperazin-1-yl)propanoic acid
CID 62311285
2-[4-(2-ethylbutyl)piperazin-1-yl]propanoic acid
CID 65062556
2-[4-(2-methoxyethyl)piperazin-1-yl]propanoic acid
CID 62309673
(2S)-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]propanoic acid
CID 94397150

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]propanoic acid (CID 62310293) is 2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]propanoic acid is C=C(Br)CN1CCN(C(C)C(=O)O)CC1.
What is the InChIKey of 2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]propanoic acid?
The InChIKey is KOZJLXZFTAVJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN2O2/c1-8(11)7-12-3-5-13(6-4-12)9(2)10(14)15/h9H,1,3-7H2,2H3,(H,14,15).
What are the key properties of 2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]propanoic acid?
2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]propanoic acid has a molecular weight of 277.16 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 62310293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).