1-[2-(dimethylamino)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid

C10H18N4O4 — CID 107437245

IUPAC1-[2-(dimethylamino)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
SMILESCN(C)CCNC(=O)N1CC(=O)NCC1C(=O)O
InChIInChI=1S/C10H18N4O4/c1-13(2)4-3-11-10(18)14-6-8(15)12-5-7(14)9(16)17/h7H,3-6H2,1-2H3,(H,11,18)(H,12,15)(H,16,17)
InChIKeyWCNHWXHETPUVNO-UHFFFAOYSA-N
MW258.28 g/mol
LogP-1.86
Rot. Bonds4

About 1-[2-(dimethylamino)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid

1-[2-(dimethylamino)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid (PubChem CID 107437245) has the molecular formula C10H18N4O4 and a molecular weight of 258.28 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
PubChem CID107437245
Molecular FormulaC10H18N4O4
Molecular Weight258.28 g/mol
Exact Mass258.13
IUPAC Name1-[2-(dimethylamino)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
SMILESCN(C)CCNC(=O)N1CC(=O)NCC1C(=O)O
InChIInChI=1S/C10H18N4O4/c1-13(2)4-3-11-10(18)14-6-8(15)12-5-7(14)9(16)17/h7H,3-6H2,1-2H3,(H,11,18)(H,12,15)(H,16,17)
InChIKeyWCNHWXHETPUVNO-UHFFFAOYSA-N
XLogP-1.86
TPSA101.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 5-1.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 106039103
1-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107439289
1-[3-(methanesulfonamido)propylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 106340351
1-[2-(dimethylamino)ethyl-propylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107438570
5-oxo-1-(5,5,5-trifluoropentylcarbamoyl)piperazine-2-carboxylic acid
CID 107439094
5-oxo-1-(2,3,3-trimethylbutylcarbamoyl)piperazine-2-carboxylic acid
CID 107439163
1-(2-methylsulfanylpropylcarbamoyl)-5-oxopiperazine-2-carboxylic acid
CID 107439258
(3R)-2-[2-(dimethylamino)ethylcarbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 61188147
1-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 106038391
1-[2-(dimethylamino)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61188498
1-(morpholin-4-ylcarbamoyl)-5-oxopiperazine-2-carboxylic acid
CID 107439148
1-(2-cyclopropylpropan-2-ylcarbamoyl)-5-oxopiperazine-2-carboxylic acid
CID 114111615

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid?
The IUPAC name of 1-[2-(dimethylamino)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid (CID 107437245) is 1-[2-(dimethylamino)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(dimethylamino)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid?
The canonical SMILES for 1-[2-(dimethylamino)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid is CN(C)CCNC(=O)N1CC(=O)NCC1C(=O)O.
What is the InChIKey of 1-[2-(dimethylamino)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid?
The InChIKey is WCNHWXHETPUVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O4/c1-13(2)4-3-11-10(18)14-6-8(15)12-5-7(14)9(16)17/h7H,3-6H2,1-2H3,(H,11,18)(H,12,15)(H,16,17).
What are the key properties of 1-[2-(dimethylamino)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid?
1-[2-(dimethylamino)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid has a molecular weight of 258.28 g/mol, XLogP of -1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid is sourced from PubChem (CID 107437245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).