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

C15H28N2O4 — CID 58786713

IUPAC4-methyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pentanoic acid
SMILESCC(C)CC(C(=O)O)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H28N2O4/c1-11(2)10-12(13(18)19)16-6-8-17(9-7-16)14(20)21-15(3,4)5/h11-12H,6-10H2,1-5H3,(H,18,19)
InChIKeyXHJMYSSQPSCNSB-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.04
Rot. Bonds4

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

4-methyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pentanoic acid (PubChem CID 58786713) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 4-methyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pentanoic acid
PubChem CID58786713
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name4-methyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pentanoic acid
SMILESCC(C)CC(C(=O)O)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H28N2O4/c1-11(2)10-12(13(18)19)16-6-8-17(9-7-16)14(20)21-15(3,4)5/h11-12H,6-10H2,1-5H3,(H,18,19)
InChIKeyXHJMYSSQPSCNSB-UHFFFAOYSA-N
XLogP2.04
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pentanoic acid?
The IUPAC name of 4-methyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pentanoic acid (CID 58786713) is 4-methyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pentanoic acid?
The canonical SMILES for 4-methyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pentanoic acid is CC(C)CC(C(=O)O)N1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of 4-methyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pentanoic acid?
The InChIKey is XHJMYSSQPSCNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-11(2)10-12(13(18)19)16-6-8-17(9-7-16)14(20)21-15(3,4)5/h11-12H,6-10H2,1-5H3,(H,18,19).
What are the key properties of 4-methyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pentanoic acid?
4-methyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pentanoic acid has a molecular weight of 300.40 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pentanoic acid is sourced from PubChem (CID 58786713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).