1-[2-[(2-amino-2-oxoethyl)-methylamino]acetyl]piperidine-4-carboxylic acid

C11H19N3O4 — CID 62658956

IUPAC1-[2-[(2-amino-2-oxoethyl)-methylamino]acetyl]piperidine-4-carboxylic acid
SMILESCN(CC(N)=O)CC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C11H19N3O4/c1-13(6-9(12)15)7-10(16)14-4-2-8(3-5-14)11(17)18/h8H,2-7H2,1H3,(H2,12,15)(H,17,18)
InChIKeyOIECKFKMTXFPGQ-UHFFFAOYSA-N
MW257.29 g/mol
LogP-1.27
Rot. Bonds5

About 1-[2-[(2-amino-2-oxoethyl)-methylamino]acetyl]piperidine-4-carboxylic acid

1-[2-[(2-amino-2-oxoethyl)-methylamino]acetyl]piperidine-4-carboxylic acid (PubChem CID 62658956) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-[2-[(2-amino-2-oxoethyl)-methylamino]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(2-amino-2-oxoethyl)-methylamino]acetyl]piperidine-4-carboxylic acid
PubChem CID62658956
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name1-[2-[(2-amino-2-oxoethyl)-methylamino]acetyl]piperidine-4-carboxylic acid
SMILESCN(CC(N)=O)CC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C11H19N3O4/c1-13(6-9(12)15)7-10(16)14-4-2-8(3-5-14)11(17)18/h8H,2-7H2,1H3,(H2,12,15)(H,17,18)
InChIKeyOIECKFKMTXFPGQ-UHFFFAOYSA-N
XLogP-1.27
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[4-(hydrazinecarbonyl)piperidin-1-yl]-2-oxoethyl]-methylamino]acetamide
CID 63574037
1-[2-[cycloheptyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
CID 62657437
1-[4-(dimethylamino)piperidin-1-yl]-2-[[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-methylamino]ethanone
CID 144771309
2-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-1-piperidin-1-ylethanone
CID 58826563
1-[2-[ethyl(propyl)amino]acetyl]piperidine-4-carboxylic acid
CID 55100622
1-[2-[bicyclo[4.1.0]heptane-7-carbonyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119236385
1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]acetyl]piperidine-4-carboxylic acid
CID 103189745
3-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanamide
CID 55028667
2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethanethioamide
CID 60730410
1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]acetyl]piperidine-4-carboxylic acid
CID 62657826
1-[2-(4-fluoro-N-methylanilino)acetyl]piperidine-4-carboxylic acid
CID 62657443
1-[2-[methyl(2-methylpentanoyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119236201

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-amino-2-oxoethyl)-methylamino]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[(2-amino-2-oxoethyl)-methylamino]acetyl]piperidine-4-carboxylic acid (CID 62658956) is 1-[2-[(2-amino-2-oxoethyl)-methylamino]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[(2-amino-2-oxoethyl)-methylamino]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[(2-amino-2-oxoethyl)-methylamino]acetyl]piperidine-4-carboxylic acid is CN(CC(N)=O)CC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[2-[(2-amino-2-oxoethyl)-methylamino]acetyl]piperidine-4-carboxylic acid?
The InChIKey is OIECKFKMTXFPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-13(6-9(12)15)7-10(16)14-4-2-8(3-5-14)11(17)18/h8H,2-7H2,1H3,(H2,12,15)(H,17,18).
What are the key properties of 1-[2-[(2-amino-2-oxoethyl)-methylamino]acetyl]piperidine-4-carboxylic acid?
1-[2-[(2-amino-2-oxoethyl)-methylamino]acetyl]piperidine-4-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of -1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-amino-2-oxoethyl)-methylamino]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 62658956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).