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

C11H20N2O4 — CID 112602025

IUPAC2-[4-(2-propan-2-yloxyacetyl)piperazin-1-yl]acetic acid
SMILESCC(C)OCC(=O)N1CCN(CC(=O)O)CC1
InChIInChI=1S/C11H20N2O4/c1-9(2)17-8-10(14)13-5-3-12(4-6-13)7-11(15)16/h9H,3-8H2,1-2H3,(H,15,16)
InChIKeyLHEFSFWSHXYVDV-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.36
Rot. Bonds5

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

2-[4-(2-propan-2-yloxyacetyl)piperazin-1-yl]acetic acid (PubChem CID 112602025) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[4-(2-propan-2-yloxyacetyl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-propan-2-yloxyacetyl)piperazin-1-yl]acetic acid
PubChem CID112602025
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-[4-(2-propan-2-yloxyacetyl)piperazin-1-yl]acetic acid
SMILESCC(C)OCC(=O)N1CCN(CC(=O)O)CC1
InChIInChI=1S/C11H20N2O4/c1-9(2)17-8-10(14)13-5-3-12(4-6-13)7-11(15)16/h9H,3-8H2,1-2H3,(H,15,16)
InChIKeyLHEFSFWSHXYVDV-UHFFFAOYSA-N
XLogP-0.36
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-chloroethyl)piperazin-1-yl]-2-propan-2-yloxyethanone
CID 112603944
1-(4-ethylsulfonylpiperazin-1-yl)-2-propan-2-yloxyethanone
CID 46199859
2-[4-(3-ethoxypropanoyl)piperazin-1-yl]acetic acid
CID 62590443
1-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-2-propan-2-yloxyethanone
CID 112601684
1-(4-bromopiperidin-1-yl)-2-propan-2-yloxyethanone
CID 112603986
2-[4-(2-acetamidoacetyl)piperazin-1-yl]acetic acid
CID 43521481
3-methyl-1-[4-[[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]methyl]piperidin-1-yl]butan-2-one
CID 172604985
2-(4-propan-2-yloxycarbonyl-1,4-diazepan-1-yl)acetic acid
CID 55119006
2-(4-heptanoylpiperazin-1-yl)acetic acid
CID 43521357
2-[4-[2-(3,5-dimethylphenoxy)acetyl]piperazin-1-yl]acetic acid
CID 119934690
2-[4-(5-amino-4-methylpentanoyl)-1,4-diazepan-1-yl]acetic acid
CID 82011803
2-[1-(2-propan-2-yloxyacetyl)azetidin-3-yl]propanoic acid
CID 116681516

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-propan-2-yloxyacetyl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(2-propan-2-yloxyacetyl)piperazin-1-yl]acetic acid (CID 112602025) is 2-[4-(2-propan-2-yloxyacetyl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-propan-2-yloxyacetyl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2-propan-2-yloxyacetyl)piperazin-1-yl]acetic acid is CC(C)OCC(=O)N1CCN(CC(=O)O)CC1.
What is the InChIKey of 2-[4-(2-propan-2-yloxyacetyl)piperazin-1-yl]acetic acid?
The InChIKey is LHEFSFWSHXYVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-9(2)17-8-10(14)13-5-3-12(4-6-13)7-11(15)16/h9H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 2-[4-(2-propan-2-yloxyacetyl)piperazin-1-yl]acetic acid?
2-[4-(2-propan-2-yloxyacetyl)piperazin-1-yl]acetic acid has a molecular weight of 244.29 g/mol, XLogP of -0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-propan-2-yloxyacetyl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 112602025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).