2-(4-propan-2-ylpiperazin-1-yl)acetic acid

C9H18N2O2 — CID 2759512

IUPAC2-(4-propan-2-ylpiperazin-1-yl)acetic acid
SMILESCC(C)N1CCN(CC(=O)O)CC1
InChIInChI=1S/C9H18N2O2/c1-8(2)11-5-3-10(4-6-11)7-9(12)13/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyABCKTSYFMNBGKM-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.10
Rot. Bonds3

About 2-(4-propan-2-ylpiperazin-1-yl)acetic acid

2-(4-propan-2-ylpiperazin-1-yl)acetic acid (PubChem CID 2759512) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-(4-propan-2-ylpiperazin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-propan-2-ylpiperazin-1-yl)acetic acid
PubChem CID2759512
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-(4-propan-2-ylpiperazin-1-yl)acetic acid
SMILESCC(C)N1CCN(CC(=O)O)CC1
InChIInChI=1S/C9H18N2O2/c1-8(2)11-5-3-10(4-6-11)7-9(12)13/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyABCKTSYFMNBGKM-UHFFFAOYSA-N
XLogP0.10
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-Diaminopropane-N,N,N',N'-tetraacetic acid
CID 20442
(4-Methylpiperazin-1-yl)acetic acid
CID 2762732
2-(4-Methylpiperazin-1-yl)acetic acid dihydrochloride
CID 44891424
1,4-Piperazinediacetic acid
CID 72640
Glycine, N,N'-(1,2-dimethyl-1,2-ethanediyl)bis(N-(carboxymethyl)-
CID 17156
(4-sec-Butyl-piperazin-1-yl)-acetic acid
CID 2757327
2-(4-Methylpiperazin-1-yl)propanoic acid dihydrochloride
CID 45791573
2-(4-Ethylpiperazin-1-yl)acetic acid hydrochloride
CID 67010630
2-(4-Ethylpiperazin-1-yl)acetic acid
CID 3163246
2-(4-Cyclopentylpiperazin-1-yl)acetic acid
CID 2758005
Methylethylenediaminetetraacetic acid
CID 9839507
2-[4,7-Di(propan-2-yl)-1,4,7-triazonan-1-yl]acetic acid
CID 91056686

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylpiperazin-1-yl)acetic acid?
The IUPAC name of 2-(4-propan-2-ylpiperazin-1-yl)acetic acid (CID 2759512) is 2-(4-propan-2-ylpiperazin-1-yl)acetic acid.
What is the SMILES notation for 2-(4-propan-2-ylpiperazin-1-yl)acetic acid?
The canonical SMILES for 2-(4-propan-2-ylpiperazin-1-yl)acetic acid is CC(C)N1CCN(CC(=O)O)CC1.
What is the InChIKey of 2-(4-propan-2-ylpiperazin-1-yl)acetic acid?
The InChIKey is ABCKTSYFMNBGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-8(2)11-5-3-10(4-6-11)7-9(12)13/h8H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 2-(4-propan-2-ylpiperazin-1-yl)acetic acid?
2-(4-propan-2-ylpiperazin-1-yl)acetic acid has a molecular weight of 186.25 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylpiperazin-1-yl)acetic acid is sourced from PubChem (CID 2759512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).