5-oxo-1-(2-phenoxypropanoyl)piperazine-2-carboxylic acid

C14H16N2O5 — CID 107433154

IUPAC5-oxo-1-(2-phenoxypropanoyl)piperazine-2-carboxylic acid
SMILESCC(Oc1ccccc1)C(=O)N1CC(=O)NCC1C(=O)O
InChIInChI=1S/C14H16N2O5/c1-9(21-10-5-3-2-4-6-10)13(18)16-8-12(17)15-7-11(16)14(19)20/h2-6,9,11H,7-8H2,1H3,(H,15,17)(H,19,20)
InChIKeyJPWMSRHXGYCRIR-UHFFFAOYSA-N
MW292.29 g/mol
LogP-0.13
Rot. Bonds4

About 5-oxo-1-(2-phenoxypropanoyl)piperazine-2-carboxylic acid

5-oxo-1-(2-phenoxypropanoyl)piperazine-2-carboxylic acid (PubChem CID 107433154) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 5-oxo-1-(2-phenoxypropanoyl)piperazine-2-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-(2-phenoxypropanoyl)piperazine-2-carboxylic acid
PubChem CID107433154
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name5-oxo-1-(2-phenoxypropanoyl)piperazine-2-carboxylic acid
SMILESCC(Oc1ccccc1)C(=O)N1CC(=O)NCC1C(=O)O
InChIInChI=1S/C14H16N2O5/c1-9(21-10-5-3-2-4-6-10)13(18)16-8-12(17)15-7-11(16)14(19)20/h2-6,9,11H,7-8H2,1H3,(H,15,17)(H,19,20)
InChIKeyJPWMSRHXGYCRIR-UHFFFAOYSA-N
XLogP-0.13
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(carbamoylamino)propanoyl]-5-oxopiperazine-2-carboxylic acid
CID 107432994
1-(2-methylpropoxycarbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107435066
5-oxo-1-[2-(1,2,4-triazol-1-yl)propanoyl]piperazine-2-carboxylic acid
CID 107433248
1-[(2-iodophenyl)carbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107437539
1-[methyl(1-thiophen-2-ylethyl)carbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107438363
4-[2-(4-phenylphenoxy)propanoyl]piperazin-2-one
CID 42957173
1-(4-ethoxybenzoyl)-5-oxopiperazine-2-carboxylic acid
CID 107432832
7-fluoro-5-(4-fluorophenyl)-4-(2-phenoxypropanoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 4153722
8-chloro-4-(2-phenoxypropanoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 20994716
1-[2-(carbamoylamino)-4-methylpentanoyl]-5-oxopiperazine-2-carboxylic acid
CID 107432952
(2R)-1-[2-(3-acetylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 119372078
4-[2-(4-phenylphenoxy)propanoyl]morpholine-3-carboxylic acid
CID 119216684

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(2-phenoxypropanoyl)piperazine-2-carboxylic acid?
The IUPAC name of 5-oxo-1-(2-phenoxypropanoyl)piperazine-2-carboxylic acid (CID 107433154) is 5-oxo-1-(2-phenoxypropanoyl)piperazine-2-carboxylic acid.
What is the SMILES notation for 5-oxo-1-(2-phenoxypropanoyl)piperazine-2-carboxylic acid?
The canonical SMILES for 5-oxo-1-(2-phenoxypropanoyl)piperazine-2-carboxylic acid is CC(Oc1ccccc1)C(=O)N1CC(=O)NCC1C(=O)O.
What is the InChIKey of 5-oxo-1-(2-phenoxypropanoyl)piperazine-2-carboxylic acid?
The InChIKey is JPWMSRHXGYCRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-9(21-10-5-3-2-4-6-10)13(18)16-8-12(17)15-7-11(16)14(19)20/h2-6,9,11H,7-8H2,1H3,(H,15,17)(H,19,20).
What are the key properties of 5-oxo-1-(2-phenoxypropanoyl)piperazine-2-carboxylic acid?
5-oxo-1-(2-phenoxypropanoyl)piperazine-2-carboxylic acid has a molecular weight of 292.29 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(2-phenoxypropanoyl)piperazine-2-carboxylic acid is sourced from PubChem (CID 107433154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).