1-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-2-methylpiperidine-2-carboxylic acid

C13H23N3O4 — CID 104598019

IUPAC1-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-2-methylpiperidine-2-carboxylic acid
SMILESCCN(CC(=O)NC)C(=O)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C13H23N3O4/c1-4-15(9-10(17)14-3)12(20)16-8-6-5-7-13(16,2)11(18)19/h4-9H2,1-3H3,(H,14,17)(H,18,19)
InChIKeyQZQSCHLBSJAMNF-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.50
Rot. Bonds4

About 1-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-2-methylpiperidine-2-carboxylic acid

1-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-2-methylpiperidine-2-carboxylic acid (PubChem CID 104598019) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 1-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-2-methylpiperidine-2-carboxylic acid
PubChem CID104598019
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name1-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-2-methylpiperidine-2-carboxylic acid
SMILESCCN(CC(=O)NC)C(=O)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C13H23N3O4/c1-4-15(9-10(17)14-3)12(20)16-8-6-5-7-13(16,2)11(18)19/h4-9H2,1-3H3,(H,14,17)(H,18,19)
InChIKeyQZQSCHLBSJAMNF-UHFFFAOYSA-N
XLogP0.50
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63124064
1-[ethyl(propan-2-yl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597887
1-[bis(2-methoxyethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597994
1-[butyl(2-hydroxyethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104598017
1-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597906
1-[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104598109
2-ethyl-1-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 83063850
1-[ethyl(1-methoxypropan-2-yl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104598114
1-[2-hydroxypropyl(methyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 113431043
1-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]cycloheptane-1-carboxylic acid
CID 61449694
2-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid
CID 104595535
2-methyl-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-2-carboxylic acid
CID 113431022

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-2-methylpiperidine-2-carboxylic acid (CID 104598019) is 1-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-2-methylpiperidine-2-carboxylic acid is CCN(CC(=O)NC)C(=O)N1CCCCC1(C)C(=O)O.
What is the InChIKey of 1-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-2-methylpiperidine-2-carboxylic acid?
The InChIKey is QZQSCHLBSJAMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-4-15(9-10(17)14-3)12(20)16-8-6-5-7-13(16,2)11(18)19/h4-9H2,1-3H3,(H,14,17)(H,18,19).
What are the key properties of 1-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-2-methylpiperidine-2-carboxylic acid?
1-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-2-methylpiperidine-2-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 104598019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).