2-[4-(2-methylpentanoyl)piperazin-1-yl]acetic acid

C12H22N2O3 — CID 43521431

IUPAC2-[4-(2-methylpentanoyl)piperazin-1-yl]acetic acid
SMILESCCCC(C)C(=O)N1CCN(CC(=O)O)CC1
InChIInChI=1S/C12H22N2O3/c1-3-4-10(2)12(17)14-7-5-13(6-8-14)9-11(15)16/h10H,3-9H2,1-2H3,(H,15,16)
InChIKeyMWWAQCIEMOWBHJ-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.65
Rot. Bonds5

About 2-[4-(2-methylpentanoyl)piperazin-1-yl]acetic acid

2-[4-(2-methylpentanoyl)piperazin-1-yl]acetic acid (PubChem CID 43521431) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[4-(2-methylpentanoyl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-methylpentanoyl)piperazin-1-yl]acetic acid
PubChem CID43521431
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[4-(2-methylpentanoyl)piperazin-1-yl]acetic acid
SMILESCCCC(C)C(=O)N1CCN(CC(=O)O)CC1
InChIInChI=1S/C12H22N2O3/c1-3-4-10(2)12(17)14-7-5-13(6-8-14)9-11(15)16/h10H,3-9H2,1-2H3,(H,15,16)
InChIKeyMWWAQCIEMOWBHJ-UHFFFAOYSA-N
XLogP0.65
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-methylhexanoyl)-1,4-diazepan-1-yl]acetic acid
CID 114246008
2-[4-(3-amino-2-methylpropanoyl)-1,4-diazepan-1-yl]acetic acid
CID 62825510
1-[4-(2-chloroethyl)piperazin-1-yl]-2-methylpentan-1-one
CID 63395391
2-[4-[2-(methylamino)propanoyl]piperazin-1-yl]acetic acid
CID 62638618
2-[4-[(2S)-2-amino-3-methylpentanoyl]piperazin-1-yl]acetic acid
CID 61173409
1-(2-methylpentanoyl)piperidine-4-carboxylic acid
CID 43209769
1-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-2-methylpentan-1-one
CID 43251391
2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]pentanoic acid
CID 163915951
(2S)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-methylpentan-1-one
CID 26832725
2-[4-[2-(carbamoylamino)-4-methylsulfanylbutanoyl]piperazin-1-yl]acetic acid
CID 43521348
2-[4-[(2R)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]acetic acid
CID 113353402
1-[4-(1-bromoethyl)piperidin-1-yl]-2-methylpentan-1-one
CID 106839235

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpentanoyl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(2-methylpentanoyl)piperazin-1-yl]acetic acid (CID 43521431) is 2-[4-(2-methylpentanoyl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-methylpentanoyl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2-methylpentanoyl)piperazin-1-yl]acetic acid is CCCC(C)C(=O)N1CCN(CC(=O)O)CC1.
What is the InChIKey of 2-[4-(2-methylpentanoyl)piperazin-1-yl]acetic acid?
The InChIKey is MWWAQCIEMOWBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-4-10(2)12(17)14-7-5-13(6-8-14)9-11(15)16/h10H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 2-[4-(2-methylpentanoyl)piperazin-1-yl]acetic acid?
2-[4-(2-methylpentanoyl)piperazin-1-yl]acetic acid has a molecular weight of 242.32 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpentanoyl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 43521431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).