1-[2-[(1-ethoxy-1-oxopropan-2-yl)amino]acetyl]piperidine-4-carboxylic acid

C13H22N2O5 — CID 103245253

IUPAC1-[2-[(1-ethoxy-1-oxopropan-2-yl)amino]acetyl]piperidine-4-carboxylic acid
SMILESCCOC(=O)C(C)NCC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H22N2O5/c1-3-20-13(19)9(2)14-8-11(16)15-6-4-10(5-7-15)12(17)18/h9-10,14H,3-8H2,1-2H3,(H,17,18)
InChIKeyQTQVLISHZRQKJQ-UHFFFAOYSA-N
MW286.33 g/mol
LogP-0.15
Rot. Bonds6

About 1-[2-[(1-ethoxy-1-oxopropan-2-yl)amino]acetyl]piperidine-4-carboxylic acid

1-[2-[(1-ethoxy-1-oxopropan-2-yl)amino]acetyl]piperidine-4-carboxylic acid (PubChem CID 103245253) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-[2-[(1-ethoxy-1-oxopropan-2-yl)amino]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(1-ethoxy-1-oxopropan-2-yl)amino]acetyl]piperidine-4-carboxylic acid
PubChem CID103245253
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name1-[2-[(1-ethoxy-1-oxopropan-2-yl)amino]acetyl]piperidine-4-carboxylic acid
SMILESCCOC(=O)C(C)NCC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H22N2O5/c1-3-20-13(19)9(2)14-8-11(16)15-6-4-10(5-7-15)12(17)18/h9-10,14H,3-8H2,1-2H3,(H,17,18)
InChIKeyQTQVLISHZRQKJQ-UHFFFAOYSA-N
XLogP-0.15
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-[(1-ethoxy-1-oxopropan-2-yl)amino]acetyl]piperidine-4-carboxylic acid with MolForge

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Related Compounds

1-[2-(4-methylpent-1-yn-3-ylamino)acetyl]piperidine-4-carboxylic acid
CID 114202670
ethyl 2-[(2-morpholin-4-yl-2-oxoethyl)amino]propanoate
CID 54959986
1-[2-[(3-ethoxy-3-oxopropyl)amino]acetyl]piperidine-4-carboxylic acid
CID 103245400
1-[3-(ethylamino)butanoyl]piperidine-4-carboxylic acid
CID 62837825
1-[2-(1-methylsulfinylpropan-2-ylamino)acetyl]piperidine-4-carboxylic acid
CID 103264123
1-[2-(1-methoxypentan-2-ylamino)acetyl]piperidine-4-carboxylic acid
CID 103253640
1-[(4-ethoxy-2-methyl-4-oxobutyl)carbamoyl]piperidine-4-carboxylic acid
CID 122008165
1-[2-(2-methylpropylamino)acetyl]piperidine-4-carboxylic acid
CID 103869483
1-[2-[[2-(methylamino)-2-oxoethyl]amino]acetyl]piperidine-4-carboxylic acid
CID 103237505
1-[2-[(2-methoxy-2-oxoethyl)amino]acetyl]piperidine-4-carboxylic acid
CID 103231226
ethyl 1-[2-(methylamino)acetyl]piperidine-4-carboxylate
CID 43086020
1-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]piperidine-4-carboxylic acid
CID 103239210

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-ethoxy-1-oxopropan-2-yl)amino]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[(1-ethoxy-1-oxopropan-2-yl)amino]acetyl]piperidine-4-carboxylic acid (CID 103245253) is 1-[2-[(1-ethoxy-1-oxopropan-2-yl)amino]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[(1-ethoxy-1-oxopropan-2-yl)amino]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[(1-ethoxy-1-oxopropan-2-yl)amino]acetyl]piperidine-4-carboxylic acid is CCOC(=O)C(C)NCC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[2-[(1-ethoxy-1-oxopropan-2-yl)amino]acetyl]piperidine-4-carboxylic acid?
The InChIKey is QTQVLISHZRQKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-3-20-13(19)9(2)14-8-11(16)15-6-4-10(5-7-15)12(17)18/h9-10,14H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 1-[2-[(1-ethoxy-1-oxopropan-2-yl)amino]acetyl]piperidine-4-carboxylic acid?
1-[2-[(1-ethoxy-1-oxopropan-2-yl)amino]acetyl]piperidine-4-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of -0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-ethoxy-1-oxopropan-2-yl)amino]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 103245253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).