3-[4-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperazin-1-yl]propanoic acid

C13H24N2O4 — CID 112602028

IUPAC3-[4-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperazin-1-yl]propanoic acid
SMILESCC(C)(C)OCC(=O)N1CCN(CCC(=O)O)CC1
InChIInChI=1S/C13H24N2O4/c1-13(2,3)19-10-11(16)15-8-6-14(7-9-15)5-4-12(17)18/h4-10H2,1-3H3,(H,17,18)
InChIKeyQURMMTDBIMWCTQ-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.42
Rot. Bonds5

About 3-[4-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperazin-1-yl]propanoic acid

3-[4-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperazin-1-yl]propanoic acid (PubChem CID 112602028) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 3-[4-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperazin-1-yl]propanoic acid
PubChem CID112602028
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name3-[4-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperazin-1-yl]propanoic acid
SMILESCC(C)(C)OCC(=O)N1CCN(CCC(=O)O)CC1
InChIInChI=1S/C13H24N2O4/c1-13(2,3)19-10-11(16)15-8-6-14(7-9-15)5-4-12(17)18/h4-10H2,1-3H3,(H,17,18)
InChIKeyQURMMTDBIMWCTQ-UHFFFAOYSA-N
XLogP0.42
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methylpropan-2-yl)oxy]-1-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]ethanone
CID 90142571
3-[4-[2-(2-aminoethoxy)acetyl]piperazin-1-yl]propanoic acid
CID 79473010
tert-butyl 4-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperazine-1-carboxylate
CID 141354092
3-[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepan-1-yl]propanoic acid
CID 18526454
3-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]propanoic acid;hydrochloride
CID 56802011
3-(4-but-3-enoylpiperazin-1-yl)propanoic acid
CID 62683475
3-[4,10-bis(carboxymethyl)-7-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]propanoic acid
CID 123320682
3-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]propanoic acid
CID 61160075
tris(3-(aziridin-1-yl)propanoic acid);propane-1,1,1-triol
CID 22071895
1-(4-methoxypiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112604331
1-[4-(1-aminopropan-2-yl)piperazin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112601749
3-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]propanoic acid
CID 61161794

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperazin-1-yl]propanoic acid (CID 112602028) is 3-[4-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperazin-1-yl]propanoic acid is CC(C)(C)OCC(=O)N1CCN(CCC(=O)O)CC1.
What is the InChIKey of 3-[4-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperazin-1-yl]propanoic acid?
The InChIKey is QURMMTDBIMWCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-13(2,3)19-10-11(16)15-8-6-14(7-9-15)5-4-12(17)18/h4-10H2,1-3H3,(H,17,18).
What are the key properties of 3-[4-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperazin-1-yl]propanoic acid?
3-[4-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperazin-1-yl]propanoic acid has a molecular weight of 272.34 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperazin-1-yl]propanoic acid is sourced from PubChem (CID 112602028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).