3-methyl-1-[[2-(methylamino)-2-oxoethyl]carbamoyl]piperidine-4-carboxylic acid

C11H19N3O4 — CID 114278565

IUPAC3-methyl-1-[[2-(methylamino)-2-oxoethyl]carbamoyl]piperidine-4-carboxylic acid
SMILESCNC(=O)CNC(=O)N1CCC(C(=O)O)C(C)C1
InChIInChI=1S/C11H19N3O4/c1-7-6-14(4-3-8(7)10(16)17)11(18)13-5-9(15)12-2/h7-8H,3-6H2,1-2H3,(H,12,15)(H,13,18)(H,16,17)
InChIKeyIKSBXVXYEUSBBJ-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.52
Rot. Bonds3

About 3-methyl-1-[[2-(methylamino)-2-oxoethyl]carbamoyl]piperidine-4-carboxylic acid

3-methyl-1-[[2-(methylamino)-2-oxoethyl]carbamoyl]piperidine-4-carboxylic acid (PubChem CID 114278565) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-methyl-1-[[2-(methylamino)-2-oxoethyl]carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[[2-(methylamino)-2-oxoethyl]carbamoyl]piperidine-4-carboxylic acid
PubChem CID114278565
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name3-methyl-1-[[2-(methylamino)-2-oxoethyl]carbamoyl]piperidine-4-carboxylic acid
SMILESCNC(=O)CNC(=O)N1CCC(C(=O)O)C(C)C1
InChIInChI=1S/C11H19N3O4/c1-7-6-14(4-3-8(7)10(16)17)11(18)13-5-9(15)12-2/h7-8H,3-6H2,1-2H3,(H,12,15)(H,13,18)(H,16,17)
InChIKeyIKSBXVXYEUSBBJ-UHFFFAOYSA-N
XLogP-0.52
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(methylcarbamoyl)piperidine-4-carboxylic acid
CID 130516067
(3S,4S)-1-[[2-(ethylamino)-2-oxoethyl]carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 98539691
3-methyl-1-(2H-tetrazol-5-ylmethylcarbamoyl)piperidine-4-carboxylic acid
CID 114278574
N-[2-(methylamino)-2-oxoethyl]morpholine-4-carboxamide
CID 115575285
1-[(2-methoxy-2-oxoethyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63719869
1-[2-(butan-2-ylamino)acetyl]-3-methylpiperidine-4-carboxylic acid
CID 114278516
1-butanoyl-3-methylpiperidine-4-carboxylic acid
CID 20606403
3-methyl-N-(2-methylprop-2-enyl)pyrrolidine-1-carboxamide
CID 127013208
3-methyl-1-[[(2S)-1,1,1-trifluorobutan-2-yl]carbamoyl]piperidine-4-carboxylic acid
CID 146108336
1-(1-ethoxypropan-2-ylcarbamoyl)-3-methylpiperidine-4-carboxylic acid
CID 114278573
1-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 113405670
4-methyl-1-[[2-(methylamino)-2-oxoethyl]carbamoyl]piperidine-4-carboxylic acid
CID 63123818

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[[2-(methylamino)-2-oxoethyl]carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 3-methyl-1-[[2-(methylamino)-2-oxoethyl]carbamoyl]piperidine-4-carboxylic acid (CID 114278565) is 3-methyl-1-[[2-(methylamino)-2-oxoethyl]carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[[2-(methylamino)-2-oxoethyl]carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 3-methyl-1-[[2-(methylamino)-2-oxoethyl]carbamoyl]piperidine-4-carboxylic acid is CNC(=O)CNC(=O)N1CCC(C(=O)O)C(C)C1.
What is the InChIKey of 3-methyl-1-[[2-(methylamino)-2-oxoethyl]carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is IKSBXVXYEUSBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-7-6-14(4-3-8(7)10(16)17)11(18)13-5-9(15)12-2/h7-8H,3-6H2,1-2H3,(H,12,15)(H,13,18)(H,16,17).
What are the key properties of 3-methyl-1-[[2-(methylamino)-2-oxoethyl]carbamoyl]piperidine-4-carboxylic acid?
3-methyl-1-[[2-(methylamino)-2-oxoethyl]carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of -0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[[2-(methylamino)-2-oxoethyl]carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 114278565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).