1-[(2-amino-2-oxoethyl)-methylcarbamoyl]-3-methylpiperidine-3-carboxylic acid

C11H19N3O4 — CID 63135703

IUPAC1-[(2-amino-2-oxoethyl)-methylcarbamoyl]-3-methylpiperidine-3-carboxylic acid
SMILESCN(CC(N)=O)C(=O)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C11H19N3O4/c1-11(9(16)17)4-3-5-14(7-11)10(18)13(2)6-8(12)15/h3-7H2,1-2H3,(H2,12,15)(H,16,17)
InChIKeyALEPYGNHPXJUFW-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.29
Rot. Bonds3

About 1-[(2-amino-2-oxoethyl)-methylcarbamoyl]-3-methylpiperidine-3-carboxylic acid

1-[(2-amino-2-oxoethyl)-methylcarbamoyl]-3-methylpiperidine-3-carboxylic acid (PubChem CID 63135703) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-[(2-amino-2-oxoethyl)-methylcarbamoyl]-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-amino-2-oxoethyl)-methylcarbamoyl]-3-methylpiperidine-3-carboxylic acid
PubChem CID63135703
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name1-[(2-amino-2-oxoethyl)-methylcarbamoyl]-3-methylpiperidine-3-carboxylic acid
SMILESCN(CC(N)=O)C(=O)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C11H19N3O4/c1-11(9(16)17)4-3-5-14(7-11)10(18)13(2)6-8(12)15/h3-7H2,1-2H3,(H2,12,15)(H,16,17)
InChIKeyALEPYGNHPXJUFW-UHFFFAOYSA-N
XLogP-0.29
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-[methyl(propyl)carbamoyl]piperidine-3-carboxylic acid
CID 63136057
1-(dimethylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
CID 63136050
3-methyl-1-[methyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 63135754
1-[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63136352
3-methyl-1-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]piperidine-3-carboxylic acid
CID 63136798
1-[2-hydroxyethyl(methyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63149285
1-[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146947
1-[1-cyanopropan-2-yl(methyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63228492
1-[2-(1-aminocyclohexyl)acetyl]-3-methylpiperidine-3-carboxylic acid
CID 64677649
1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63136781
1-amino-3-methylpiperidine-3-carboxylic acid
CID 151231433
1-(2-ethylbutanoyl)-3-methylpiperidine-3-carboxylic acid
CID 63133956

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-2-oxoethyl)-methylcarbamoyl]-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[(2-amino-2-oxoethyl)-methylcarbamoyl]-3-methylpiperidine-3-carboxylic acid (CID 63135703) is 1-[(2-amino-2-oxoethyl)-methylcarbamoyl]-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-amino-2-oxoethyl)-methylcarbamoyl]-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(2-amino-2-oxoethyl)-methylcarbamoyl]-3-methylpiperidine-3-carboxylic acid is CN(CC(N)=O)C(=O)N1CCCC(C)(C(=O)O)C1.
What is the InChIKey of 1-[(2-amino-2-oxoethyl)-methylcarbamoyl]-3-methylpiperidine-3-carboxylic acid?
The InChIKey is ALEPYGNHPXJUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-11(9(16)17)4-3-5-14(7-11)10(18)13(2)6-8(12)15/h3-7H2,1-2H3,(H2,12,15)(H,16,17).
What are the key properties of 1-[(2-amino-2-oxoethyl)-methylcarbamoyl]-3-methylpiperidine-3-carboxylic acid?
1-[(2-amino-2-oxoethyl)-methylcarbamoyl]-3-methylpiperidine-3-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of -0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-2-oxoethyl)-methylcarbamoyl]-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63135703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).