4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]butanoic acid

C13H24N2O4 — CID 90397912

IUPAC4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]butanoic acid
SMILESCC(C)(C)OC(=O)N1CCN(CCCC(=O)O)CC1
InChIInChI=1S/C13H24N2O4/c1-13(2,3)19-12(18)15-9-7-14(8-10-15)6-4-5-11(16)17/h4-10H2,1-3H3,(H,16,17)
InChIKeyDJWURFPLVBHJDF-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.40
Rot. Bonds4

About 4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]butanoic acid

4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]butanoic acid (PubChem CID 90397912) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]butanoic acid
PubChem CID90397912
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]butanoic acid
SMILESCC(C)(C)OC(=O)N1CCN(CCCC(=O)O)CC1
InChIInChI=1S/C13H24N2O4/c1-13(2,3)19-12(18)15-9-7-14(8-10-15)6-4-5-11(16)17/h4-10H2,1-3H3,(H,16,17)
InChIKeyDJWURFPLVBHJDF-UHFFFAOYSA-N
XLogP1.40
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Acetylpiperazin-1-yl)-4-oxobutanoic acid
CID 851827
1-(tert-Butoxycarbonyl)-4-piperidinecarboxylic acid
CID 392871
1-[(Tert-butoxy)carbonyl]-4-methylpiperidine-4-carboxylic acid
CID 23282848
3-(4-(tert-Butoxycarbonyl)piperazin-1-yl)propanoic acid
CID 2735644
4-{[(Tert-butoxy)carbonyl](methyl)amino}butanoic acid
CID 10656390
1-(tert-Butoxycarbonyl)-4-fluoropiperidine-4-carboxylic Acid
CID 21050397
1-[(Tert-butoxy)carbonyl]-4-ethylpiperidine-4-carboxylic acid
CID 22169097
2-[(2R)-1,4-bis[(tert-butoxy)carbonyl]piperazin-2-yl]acetic acid
CID 29942775
4-[4-(Ethoxycarbonyl)piperazin-1-yl]-4-oxobutanoic acid
CID 6420659
4-(4-(tert-Butoxycarbonyl)piperazin-1-yl)-4-oxobutanoic acid
CID 545895
3-(4-((Tert-butoxy)carbonyl)piperazin-1-yl)propanoic acid hydrochloride
CID 2769353
2-[(2S)-1,4-bis[(tert-butoxy)carbonyl]piperazin-2-yl]acetic acid
CID 29942769

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]butanoic acid?
The IUPAC name of 4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]butanoic acid (CID 90397912) is 4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]butanoic acid.
What is the SMILES notation for 4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]butanoic acid?
The canonical SMILES for 4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]butanoic acid is CC(C)(C)OC(=O)N1CCN(CCCC(=O)O)CC1.
What is the InChIKey of 4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]butanoic acid?
The InChIKey is DJWURFPLVBHJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-13(2,3)19-12(18)15-9-7-14(8-10-15)6-4-5-11(16)17/h4-10H2,1-3H3,(H,16,17).
What are the key properties of 4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]butanoic acid?
4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]butanoic acid has a molecular weight of 272.34 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]butanoic acid is sourced from PubChem (CID 90397912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).