1-[2-(ethylamino)-2-oxoethyl]piperidine-3,4-dicarboxylic acid

C11H18N2O5 — CID 112568166

IUPAC1-[2-(ethylamino)-2-oxoethyl]piperidine-3,4-dicarboxylic acid
SMILESCCNC(=O)CN1CCC(C(=O)O)C(C(=O)O)C1
InChIInChI=1S/C11H18N2O5/c1-2-12-9(14)6-13-4-3-7(10(15)16)8(5-13)11(17)18/h7-8H,2-6H2,1H3,(H,12,14)(H,15,16)(H,17,18)
InChIKeyLHDYPZJRFGNREF-UHFFFAOYSA-N
MW258.27 g/mol
LogP-0.77
Rot. Bonds5

About 1-[2-(ethylamino)-2-oxoethyl]piperidine-3,4-dicarboxylic acid

1-[2-(ethylamino)-2-oxoethyl]piperidine-3,4-dicarboxylic acid (PubChem CID 112568166) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is 1-[2-(ethylamino)-2-oxoethyl]piperidine-3,4-dicarboxylic acid.

Molecular Properties

Compound Name1-[2-(ethylamino)-2-oxoethyl]piperidine-3,4-dicarboxylic acid
PubChem CID112568166
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name1-[2-(ethylamino)-2-oxoethyl]piperidine-3,4-dicarboxylic acid
SMILESCCNC(=O)CN1CCC(C(=O)O)C(C(=O)O)C1
InChIInChI=1S/C11H18N2O5/c1-2-12-9(14)6-13-4-3-7(10(15)16)8(5-13)11(17)18/h7-8H,2-6H2,1H3,(H,12,14)(H,15,16)(H,17,18)
InChIKeyLHDYPZJRFGNREF-UHFFFAOYSA-N
XLogP-0.77
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S,5S)-5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]acetic acid
CID 57345543
Cyclo-(L-Leu-N-ethyl-L-Glu)
CID 170989636
1-[1-(Butylamino)-1-oxopropan-2-yl]piperidine-3-carboxylic acid
CID 43440657
1-[2-(2,2,2-Trifluoroethylamino)acetyl]piperidine-3,4-dicarboxylic acid
CID 115918611
1-(2-Amino-3,3,3-trifluoro-2-methylpropanoyl)piperidine-3,4-dicarboxylic acid
CID 115918615
1-[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-3,4-dicarboxylic acid
CID 115918727
(3S)-2-(4-acetyl-1-carbamoylpiperazin-2-yl)-3-aminobutanedioic acid
CID 53837399
2,3-Bis(2-acetamidoethyl)butanedioic acid
CID 53974164
(3S,4R)-6-oxopiperidine-3,4-dicarboxylic acid
CID 54156590
methyl (2S,3R)-2-[3,3-dihydroxypropyl(methyl)carbamoyl]piperidine-3-carboxylate
CID 59902548
1-[2-(Methylamino)acetyl]piperidine-3-carboxylic acid
CID 61157901
methyl (2S,3R)-2-[ethyl(methyl)carbamoyl]piperidine-3-carboxylate
CID 68062235

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)-2-oxoethyl]piperidine-3,4-dicarboxylic acid?
The IUPAC name of 1-[2-(ethylamino)-2-oxoethyl]piperidine-3,4-dicarboxylic acid (CID 112568166) is 1-[2-(ethylamino)-2-oxoethyl]piperidine-3,4-dicarboxylic acid.
What is the SMILES notation for 1-[2-(ethylamino)-2-oxoethyl]piperidine-3,4-dicarboxylic acid?
The canonical SMILES for 1-[2-(ethylamino)-2-oxoethyl]piperidine-3,4-dicarboxylic acid is CCNC(=O)CN1CCC(C(=O)O)C(C(=O)O)C1.
What is the InChIKey of 1-[2-(ethylamino)-2-oxoethyl]piperidine-3,4-dicarboxylic acid?
The InChIKey is LHDYPZJRFGNREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-2-12-9(14)6-13-4-3-7(10(15)16)8(5-13)11(17)18/h7-8H,2-6H2,1H3,(H,12,14)(H,15,16)(H,17,18).
What are the key properties of 1-[2-(ethylamino)-2-oxoethyl]piperidine-3,4-dicarboxylic acid?
1-[2-(ethylamino)-2-oxoethyl]piperidine-3,4-dicarboxylic acid has a molecular weight of 258.27 g/mol, XLogP of -0.77, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)-2-oxoethyl]piperidine-3,4-dicarboxylic acid is sourced from PubChem (CID 112568166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).