5-[[(5-oxopiperazine-2-carbonyl)amino]methyl]oxolane-2-carboxylic acid

C11H17N3O5 — CID 107437075

IUPAC5-[[(5-oxopiperazine-2-carbonyl)amino]methyl]oxolane-2-carboxylic acid
SMILESO=C1CNC(C(=O)NCC2CCC(C(=O)O)O2)CN1
InChIInChI=1S/C11H17N3O5/c15-9-5-12-7(4-13-9)10(16)14-3-6-1-2-8(19-6)11(17)18/h6-8,12H,1-5H2,(H,13,15)(H,14,16)(H,17,18)
InChIKeyXDTJQXHVEQUSCN-UHFFFAOYSA-N
MW271.27 g/mol
LogP-2.18
Rot. Bonds4

About 5-[[(5-oxopiperazine-2-carbonyl)amino]methyl]oxolane-2-carboxylic acid

5-[[(5-oxopiperazine-2-carbonyl)amino]methyl]oxolane-2-carboxylic acid (PubChem CID 107437075) has the molecular formula C11H17N3O5 and a molecular weight of 271.27 g/mol. Its IUPAC name is 5-[[(5-oxopiperazine-2-carbonyl)amino]methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(5-oxopiperazine-2-carbonyl)amino]methyl]oxolane-2-carboxylic acid
PubChem CID107437075
Molecular FormulaC11H17N3O5
Molecular Weight271.27 g/mol
Exact Mass271.12
IUPAC Name5-[[(5-oxopiperazine-2-carbonyl)amino]methyl]oxolane-2-carboxylic acid
SMILESO=C1CNC(C(=O)NCC2CCC(C(=O)O)O2)CN1
InChIInChI=1S/C11H17N3O5/c15-9-5-12-7(4-13-9)10(16)14-3-6-1-2-8(19-6)11(17)18/h6-8,12H,1-5H2,(H,13,15)(H,14,16)(H,17,18)
InChIKeyXDTJQXHVEQUSCN-UHFFFAOYSA-N
XLogP-2.18
TPSA116.76 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 5-2.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-hydroxycyclopentyl)methyl]-5-oxopiperazine-2-carboxamide
CID 106134338
N-(2-amino-2-oxoethyl)-5-oxopiperazine-2-carboxamide
CID 107433351
1-[[(5-oxopiperazine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 107437337
N-[(1-hydroxycyclobutyl)methyl]-5-oxopiperazine-2-carboxamide
CID 107437701
5-[[(2-methylpiperidine-4-carbonyl)amino]methyl]oxolane-2-carboxylic acid
CID 106740322
N-[(2R)-2-hydroxypropyl]-5-oxopiperazine-2-carboxamide
CID 107437971
N-(2-chloroprop-2-enyl)-5-oxopiperazine-2-carboxamide
CID 107437561
5-[[[(2R)-oxolane-2-carbonyl]amino]methyl]oxolane-2-carboxylic acid
CID 104855853
5-[[(3,3-difluorocyclopentanecarbonyl)amino]methyl]oxolane-2-carboxylic acid
CID 114226212
5-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]oxolane-2-carboxylic acid
CID 106892442
N-[1-(hydroxymethyl)cyclopropyl]-5-oxopiperazine-2-carboxamide
CID 107437680
N-[3-(2-methoxyethoxy)propyl]-5-oxopiperazine-2-carboxamide
CID 107435769

Frequently Asked Questions

What is the IUPAC name of 5-[[(5-oxopiperazine-2-carbonyl)amino]methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[[(5-oxopiperazine-2-carbonyl)amino]methyl]oxolane-2-carboxylic acid (CID 107437075) is 5-[[(5-oxopiperazine-2-carbonyl)amino]methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[[(5-oxopiperazine-2-carbonyl)amino]methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[[(5-oxopiperazine-2-carbonyl)amino]methyl]oxolane-2-carboxylic acid is O=C1CNC(C(=O)NCC2CCC(C(=O)O)O2)CN1.
What is the InChIKey of 5-[[(5-oxopiperazine-2-carbonyl)amino]methyl]oxolane-2-carboxylic acid?
The InChIKey is XDTJQXHVEQUSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5/c15-9-5-12-7(4-13-9)10(16)14-3-6-1-2-8(19-6)11(17)18/h6-8,12H,1-5H2,(H,13,15)(H,14,16)(H,17,18).
What are the key properties of 5-[[(5-oxopiperazine-2-carbonyl)amino]methyl]oxolane-2-carboxylic acid?
5-[[(5-oxopiperazine-2-carbonyl)amino]methyl]oxolane-2-carboxylic acid has a molecular weight of 271.27 g/mol, XLogP of -2.18, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5-oxopiperazine-2-carbonyl)amino]methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 107437075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).