(2R)-5,6-dioxo-4-[(1R)-1-phenylethyl]piperazine-2-carboxylic acid

C13H14N2O4 — CID 142671782

IUPAC(2R)-5,6-dioxo-4-[(1R)-1-phenylethyl]piperazine-2-carboxylic acid
SMILESC[C@H](c1ccccc1)N1C[C@H](C(=O)O)NC(=O)C1=O
InChIInChI=1S/C13H14N2O4/c1-8(9-5-3-2-4-6-9)15-7-10(13(18)19)14-11(16)12(15)17/h2-6,8,10H,7H2,1H3,(H,14,16)(H,18,19)/t8-,10-/m1/s1
InChIKeyRHHJYVQAMNEUHV-PSASIEDQSA-N
MW262.26 g/mol
LogP0.16
Rot. Bonds3

About (2R)-5,6-dioxo-4-[(1R)-1-phenylethyl]piperazine-2-carboxylic acid

(2R)-5,6-dioxo-4-[(1R)-1-phenylethyl]piperazine-2-carboxylic acid (PubChem CID 142671782) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is (2R)-5,6-dioxo-4-[(1R)-1-phenylethyl]piperazine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-5,6-dioxo-4-[(1R)-1-phenylethyl]piperazine-2-carboxylic acid
PubChem CID142671782
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name(2R)-5,6-dioxo-4-[(1R)-1-phenylethyl]piperazine-2-carboxylic acid
SMILESC[C@H](c1ccccc1)N1C[C@H](C(=O)O)NC(=O)C1=O
InChIInChI=1S/C13H14N2O4/c1-8(9-5-3-2-4-6-9)15-7-10(13(18)19)14-11(16)12(15)17/h2-6,8,10H,7H2,1H3,(H,14,16)(H,18,19)/t8-,10-/m1/s1
InChIKeyRHHJYVQAMNEUHV-PSASIEDQSA-N
XLogP0.16
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-(hydroxymethyl)-1-[(1R)-1-phenylethyl]imidazolidin-2-one
CID 66713277
(1R,4R,8S)-6-oxo-10-[(1S)-1-phenylethyl]-3,10-diazatricyclo[6.2.1.02,7]undec-2(7)-ene-4-carboxylic acid
CID 10495310
3-methyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 142649009
(4R)-4-hydroxy-3,3-dimethyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 99770501
(1S,5R)-1-acetyl-3-[(1S)-1-phenylethyl]-3-azabicyclo[3.1.0]hexan-2-one
CID 102533006
1-(1-phenylethyl)azetidine-3-carboxylic acid
CID 65071589
methyl (3R,4R)-4-(2-methoxy-2-oxoethyl)-2-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxylate
CID 11088469
4-methyl-1-[(1S)-1-phenylethyl]piperidin-2-one
CID 53382448
(4R)-4-(cyclobutanecarbonyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 21087447
(3S)-3-(hydroxymethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 118420929
N-(2,6-dioxopiperidin-3-yl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 146129255
3-hydroxy-1-[(1R)-1-phenylethyl]-4-propan-2-ylpyrrolidin-2-one
CID 58335409

Frequently Asked Questions

What is the IUPAC name of (2R)-5,6-dioxo-4-[(1R)-1-phenylethyl]piperazine-2-carboxylic acid?
The IUPAC name of (2R)-5,6-dioxo-4-[(1R)-1-phenylethyl]piperazine-2-carboxylic acid (CID 142671782) is (2R)-5,6-dioxo-4-[(1R)-1-phenylethyl]piperazine-2-carboxylic acid.
What is the SMILES notation for (2R)-5,6-dioxo-4-[(1R)-1-phenylethyl]piperazine-2-carboxylic acid?
The canonical SMILES for (2R)-5,6-dioxo-4-[(1R)-1-phenylethyl]piperazine-2-carboxylic acid is C[C@H](c1ccccc1)N1C[C@H](C(=O)O)NC(=O)C1=O.
What is the InChIKey of (2R)-5,6-dioxo-4-[(1R)-1-phenylethyl]piperazine-2-carboxylic acid?
The InChIKey is RHHJYVQAMNEUHV-PSASIEDQSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-8(9-5-3-2-4-6-9)15-7-10(13(18)19)14-11(16)12(15)17/h2-6,8,10H,7H2,1H3,(H,14,16)(H,18,19)/t8-,10-/m1/s1.
What are the key properties of (2R)-5,6-dioxo-4-[(1R)-1-phenylethyl]piperazine-2-carboxylic acid?
(2R)-5,6-dioxo-4-[(1R)-1-phenylethyl]piperazine-2-carboxylic acid has a molecular weight of 262.26 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5,6-dioxo-4-[(1R)-1-phenylethyl]piperazine-2-carboxylic acid is sourced from PubChem (CID 142671782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).