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

C13H24N4O4 — CID 107438570

IUPAC1-[2-(dimethylamino)ethyl-propylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
SMILESCCCN(CCN(C)C)C(=O)N1CC(=O)NCC1C(=O)O
InChIInChI=1S/C13H24N4O4/c1-4-5-16(7-6-15(2)3)13(21)17-9-11(18)14-8-10(17)12(19)20/h10H,4-9H2,1-3H3,(H,14,18)(H,19,20)
InChIKeyAOGAGJNSKBTSGU-UHFFFAOYSA-N
MW300.36 g/mol
LogP-0.74
Rot. Bonds6

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

1-[2-(dimethylamino)ethyl-propylcarbamoyl]-5-oxopiperazine-2-carboxylic acid (PubChem CID 107438570) has the molecular formula C13H24N4O4 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl-propylcarbamoyl]-5-oxopiperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl-propylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
PubChem CID107438570
Molecular FormulaC13H24N4O4
Molecular Weight300.36 g/mol
Exact Mass300.18
IUPAC Name1-[2-(dimethylamino)ethyl-propylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
SMILESCCCN(CCN(C)C)C(=O)N1CC(=O)NCC1C(=O)O
InChIInChI=1S/C13H24N4O4/c1-4-5-16(7-6-15(2)3)13(21)17-9-11(18)14-8-10(17)12(19)20/h10H,4-9H2,1-3H3,(H,14,18)(H,19,20)
InChIKeyAOGAGJNSKBTSGU-UHFFFAOYSA-N
XLogP-0.74
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(dimethylamino)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107437245
1-[methyl-(1-methylpiperidin-4-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107437605
1-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107439416
1-octanoyl-5-oxopiperazine-2-carboxylic acid
CID 107432834
1-[methyl(oxan-4-ylmethyl)carbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107438774
1-(hexan-2-ylcarbamoyl)-5-oxopiperazine-2-carboxylic acid
CID 107438610
1-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 106039103
5-oxo-1-(2-propan-2-ylsulfanylacetyl)piperazine-2-carboxylic acid
CID 107432944
1-[2-(dimethylamino)ethyl-propylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782407
1-[2-(carbamoylamino)propanoyl]-5-oxopiperazine-2-carboxylic acid
CID 107432994
1-(2-methylpropoxycarbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107435066
1-(4-methylpiperazine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107437216

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl-propylcarbamoyl]-5-oxopiperazine-2-carboxylic acid?
The IUPAC name of 1-[2-(dimethylamino)ethyl-propylcarbamoyl]-5-oxopiperazine-2-carboxylic acid (CID 107438570) is 1-[2-(dimethylamino)ethyl-propylcarbamoyl]-5-oxopiperazine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl-propylcarbamoyl]-5-oxopiperazine-2-carboxylic acid?
The canonical SMILES for 1-[2-(dimethylamino)ethyl-propylcarbamoyl]-5-oxopiperazine-2-carboxylic acid is CCCN(CCN(C)C)C(=O)N1CC(=O)NCC1C(=O)O.
What is the InChIKey of 1-[2-(dimethylamino)ethyl-propylcarbamoyl]-5-oxopiperazine-2-carboxylic acid?
The InChIKey is AOGAGJNSKBTSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O4/c1-4-5-16(7-6-15(2)3)13(21)17-9-11(18)14-8-10(17)12(19)20/h10H,4-9H2,1-3H3,(H,14,18)(H,19,20).
What are the key properties of 1-[2-(dimethylamino)ethyl-propylcarbamoyl]-5-oxopiperazine-2-carboxylic acid?
1-[2-(dimethylamino)ethyl-propylcarbamoyl]-5-oxopiperazine-2-carboxylic acid has a molecular weight of 300.36 g/mol, XLogP of -0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl-propylcarbamoyl]-5-oxopiperazine-2-carboxylic acid is sourced from PubChem (CID 107438570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).