1-(morpholin-4-ylcarbamoyl)-5-oxopiperazine-2-carboxylic acid

C10H16N4O5 — CID 107439148

IUPAC1-(morpholin-4-ylcarbamoyl)-5-oxopiperazine-2-carboxylic acid
SMILESO=C1CN(C(=O)NN2CCOCC2)C(C(=O)O)CN1
InChIInChI=1S/C10H16N4O5/c15-8-6-14(7(5-11-8)9(16)17)10(18)12-13-1-3-19-4-2-13/h7H,1-6H2,(H,11,15)(H,12,18)(H,16,17)
InChIKeyNETIENDZHBBFRH-UHFFFAOYSA-N
MW272.26 g/mol
LogP-2.17
Rot. Bonds2

About 1-(morpholin-4-ylcarbamoyl)-5-oxopiperazine-2-carboxylic acid

1-(morpholin-4-ylcarbamoyl)-5-oxopiperazine-2-carboxylic acid (PubChem CID 107439148) has the molecular formula C10H16N4O5 and a molecular weight of 272.26 g/mol. Its IUPAC name is 1-(morpholin-4-ylcarbamoyl)-5-oxopiperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-(morpholin-4-ylcarbamoyl)-5-oxopiperazine-2-carboxylic acid
PubChem CID107439148
Molecular FormulaC10H16N4O5
Molecular Weight272.26 g/mol
Exact Mass272.11
IUPAC Name1-(morpholin-4-ylcarbamoyl)-5-oxopiperazine-2-carboxylic acid
SMILESO=C1CN(C(=O)NN2CCOCC2)C(C(=O)O)CN1
InChIInChI=1S/C10H16N4O5/c15-8-6-14(7(5-11-8)9(16)17)10(18)12-13-1-3-19-4-2-13/h7H,1-6H2,(H,11,15)(H,12,18)(H,16,17)
InChIKeyNETIENDZHBBFRH-UHFFFAOYSA-N
XLogP-2.17
TPSA111.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 5-2.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(dimethylamino)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107437245
1-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107439289
1-(cyclohexylcarbamoyl)-5-oxopiperazine-2-carboxylic acid
CID 107435082
1-(2-cyclopropylpropan-2-ylcarbamoyl)-5-oxopiperazine-2-carboxylic acid
CID 114111615
5-oxo-1-(5,5,5-trifluoropentylcarbamoyl)piperazine-2-carboxylic acid
CID 107439094
1-(cyclopropanecarbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107432929
1-[3-(methanesulfonamido)propylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 106340351
1-[(2,6-dioxopiperidin-3-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107438943
1-[methyl(oxan-4-ylmethyl)carbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107438774
5-oxo-1-(2,3,3-trimethylbutylcarbamoyl)piperazine-2-carboxylic acid
CID 107439163
1-(2-methylsulfanylpropylcarbamoyl)-5-oxopiperazine-2-carboxylic acid
CID 107439258
1-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 106039103

Frequently Asked Questions

What is the IUPAC name of 1-(morpholin-4-ylcarbamoyl)-5-oxopiperazine-2-carboxylic acid?
The IUPAC name of 1-(morpholin-4-ylcarbamoyl)-5-oxopiperazine-2-carboxylic acid (CID 107439148) is 1-(morpholin-4-ylcarbamoyl)-5-oxopiperazine-2-carboxylic acid.
What is the SMILES notation for 1-(morpholin-4-ylcarbamoyl)-5-oxopiperazine-2-carboxylic acid?
The canonical SMILES for 1-(morpholin-4-ylcarbamoyl)-5-oxopiperazine-2-carboxylic acid is O=C1CN(C(=O)NN2CCOCC2)C(C(=O)O)CN1.
What is the InChIKey of 1-(morpholin-4-ylcarbamoyl)-5-oxopiperazine-2-carboxylic acid?
The InChIKey is NETIENDZHBBFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O5/c15-8-6-14(7(5-11-8)9(16)17)10(18)12-13-1-3-19-4-2-13/h7H,1-6H2,(H,11,15)(H,12,18)(H,16,17).
What are the key properties of 1-(morpholin-4-ylcarbamoyl)-5-oxopiperazine-2-carboxylic acid?
1-(morpholin-4-ylcarbamoyl)-5-oxopiperazine-2-carboxylic acid has a molecular weight of 272.26 g/mol, XLogP of -2.17, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(morpholin-4-ylcarbamoyl)-5-oxopiperazine-2-carboxylic acid is sourced from PubChem (CID 107439148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).