1-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]-5-oxopiperazine-2-carboxylic acid

C13H24N4O4 — CID 106039103

IUPAC1-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
SMILESCC(C)N(C)CCCNC(=O)N1CC(=O)NCC1C(=O)O
InChIInChI=1S/C13H24N4O4/c1-9(2)16(3)6-4-5-14-13(21)17-8-11(18)15-7-10(17)12(19)20/h9-10H,4-8H2,1-3H3,(H,14,21)(H,15,18)(H,19,20)
InChIKeyRXPSZAFCLQBOGE-UHFFFAOYSA-N
MW300.36 g/mol
LogP-0.69
Rot. Bonds6

About 1-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]-5-oxopiperazine-2-carboxylic acid

1-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]-5-oxopiperazine-2-carboxylic acid (PubChem CID 106039103) has the molecular formula C13H24N4O4 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]-5-oxopiperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
PubChem CID106039103
Molecular FormulaC13H24N4O4
Molecular Weight300.36 g/mol
Exact Mass300.18
IUPAC Name1-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
SMILESCC(C)N(C)CCCNC(=O)N1CC(=O)NCC1C(=O)O
InChIInChI=1S/C13H24N4O4/c1-9(2)16(3)6-4-5-14-13(21)17-8-11(18)15-7-10(17)12(19)20/h9-10H,4-8H2,1-3H3,(H,14,21)(H,15,18)(H,19,20)
InChIKeyRXPSZAFCLQBOGE-UHFFFAOYSA-N
XLogP-0.69
TPSA101.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(dimethylamino)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107437245
1-[3-(methanesulfonamido)propylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 106340351
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
1-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107439289
1-(hexan-2-ylcarbamoyl)-5-oxopiperazine-2-carboxylic acid
CID 107438610
5-oxo-1-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]piperazine-2-carboxylic acid
CID 107438867
(4R)-3-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 62635329
1-(2-methylpropoxycarbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107435066
1-[2-(dimethylamino)ethyl-propylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107438570
5-oxo-1-(2-propan-2-ylsulfanylacetyl)piperazine-2-carboxylic acid
CID 107432944

Frequently Asked Questions

What is the IUPAC name of 1-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]-5-oxopiperazine-2-carboxylic acid?
The IUPAC name of 1-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]-5-oxopiperazine-2-carboxylic acid (CID 106039103) is 1-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]-5-oxopiperazine-2-carboxylic acid.
What is the SMILES notation for 1-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]-5-oxopiperazine-2-carboxylic acid?
The canonical SMILES for 1-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]-5-oxopiperazine-2-carboxylic acid is CC(C)N(C)CCCNC(=O)N1CC(=O)NCC1C(=O)O.
What is the InChIKey of 1-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]-5-oxopiperazine-2-carboxylic acid?
The InChIKey is RXPSZAFCLQBOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O4/c1-9(2)16(3)6-4-5-14-13(21)17-8-11(18)15-7-10(17)12(19)20/h9-10H,4-8H2,1-3H3,(H,14,21)(H,15,18)(H,19,20).
What are the key properties of 1-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]-5-oxopiperazine-2-carboxylic acid?
1-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]-5-oxopiperazine-2-carboxylic acid has a molecular weight of 300.36 g/mol, XLogP of -0.69, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]-5-oxopiperazine-2-carboxylic acid is sourced from PubChem (CID 106039103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).