1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-5-oxopiperazine-2-carboxylic acid

C13H22N4O4 — CID 107437712

IUPAC1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
SMILESCCN1CCCC1CNC(=O)N1CC(=O)NCC1C(=O)O
InChIInChI=1S/C13H22N4O4/c1-2-16-5-3-4-9(16)6-15-13(21)17-8-11(18)14-7-10(17)12(19)20/h9-10H,2-8H2,1H3,(H,14,18)(H,15,21)(H,19,20)
InChIKeyXLFLNZUVAMMJHO-UHFFFAOYSA-N
MW298.34 g/mol
LogP-0.93
Rot. Bonds4

About 1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-5-oxopiperazine-2-carboxylic acid

1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-5-oxopiperazine-2-carboxylic acid (PubChem CID 107437712) has the molecular formula C13H22N4O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is 1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-5-oxopiperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
PubChem CID107437712
Molecular FormulaC13H22N4O4
Molecular Weight298.34 g/mol
Exact Mass298.16
IUPAC Name1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
SMILESCCN1CCCC1CNC(=O)N1CC(=O)NCC1C(=O)O
InChIInChI=1S/C13H22N4O4/c1-2-16-5-3-4-9(16)6-15-13(21)17-8-11(18)14-7-10(17)12(19)20/h9-10H,2-8H2,1H3,(H,14,18)(H,15,21)(H,19,20)
InChIKeyXLFLNZUVAMMJHO-UHFFFAOYSA-N
XLogP-0.93
TPSA101.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 61191761
1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]azepane-2-carboxylic acid
CID 64564669
1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 43318538
1-[2-(dimethylamino)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107437245
1-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107439289
5-oxo-1-(2,3,3-trimethylbutylcarbamoyl)piperazine-2-carboxylic acid
CID 107439163
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methane
CID 159182126
1-[(2-methylcycloheptyl)carbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107438930
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methanethiol
CID 143677911
2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 64816503
1-[3-(methanesulfonamido)propylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 106340351
1-[(2,2-dimethylcyclohexyl)carbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107439003

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-5-oxopiperazine-2-carboxylic acid?
The IUPAC name of 1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-5-oxopiperazine-2-carboxylic acid (CID 107437712) is 1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-5-oxopiperazine-2-carboxylic acid.
What is the SMILES notation for 1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-5-oxopiperazine-2-carboxylic acid?
The canonical SMILES for 1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-5-oxopiperazine-2-carboxylic acid is CCN1CCCC1CNC(=O)N1CC(=O)NCC1C(=O)O.
What is the InChIKey of 1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-5-oxopiperazine-2-carboxylic acid?
The InChIKey is XLFLNZUVAMMJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O4/c1-2-16-5-3-4-9(16)6-15-13(21)17-8-11(18)14-7-10(17)12(19)20/h9-10H,2-8H2,1H3,(H,14,18)(H,15,21)(H,19,20).
What are the key properties of 1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-5-oxopiperazine-2-carboxylic acid?
1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-5-oxopiperazine-2-carboxylic acid has a molecular weight of 298.34 g/mol, XLogP of -0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-5-oxopiperazine-2-carboxylic acid is sourced from PubChem (CID 107437712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).