(2S)-4-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid

C17H24N2O4 — CID 40787028

IUPAC(2S)-4-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCN(Cc2ccccc2)C[C@H]1C(=O)O
InChIInChI=1S/C17H24N2O4/c1-17(2,3)23-16(22)19-10-9-18(12-14(19)15(20)21)11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,20,21)/t14-/m0/s1
InChIKeyZGEORLKSWXAMBW-AWEZNQCLSA-N
MW320.39 g/mol
LogP2.19
Rot. Bonds3

About (2S)-4-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid

(2S)-4-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid (PubChem CID 40787028) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is (2S)-4-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
PubChem CID40787028
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name(2S)-4-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCN(Cc2ccccc2)C[C@H]1C(=O)O
InChIInChI=1S/C17H24N2O4/c1-17(2,3)23-16(22)19-10-9-18(12-14(19)15(20)21)11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,20,21)/t14-/m0/s1
InChIKeyZGEORLKSWXAMBW-AWEZNQCLSA-N
XLogP2.19
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid?
The IUPAC name of (2S)-4-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid (CID 40787028) is (2S)-4-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid?
The canonical SMILES for (2S)-4-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid is CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)C[C@H]1C(=O)O.
What is the InChIKey of (2S)-4-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid?
The InChIKey is ZGEORLKSWXAMBW-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-17(2,3)23-16(22)19-10-9-18(12-14(19)15(20)21)11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,20,21)/t14-/m0/s1.
What are the key properties of (2S)-4-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid?
(2S)-4-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid has a molecular weight of 320.39 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid is sourced from PubChem (CID 40787028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).