1-(2-acetamidoacetyl)piperidine-3-carboxylic acid

C10H16N2O4 — CID 24710253

IUPAC1-(2-acetamidoacetyl)piperidine-3-carboxylic acid
SMILESCC(=O)NCC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C10H16N2O4/c1-7(13)11-5-9(14)12-4-2-3-8(6-12)10(15)16/h8H,2-6H2,1H3,(H,11,13)(H,15,16)
InChIKeyBSLXZBXYYMDIMH-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.55
Rot. Bonds3

About 1-(2-acetamidoacetyl)piperidine-3-carboxylic acid

1-(2-acetamidoacetyl)piperidine-3-carboxylic acid (PubChem CID 24710253) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 1-(2-acetamidoacetyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-acetamidoacetyl)piperidine-3-carboxylic acid
PubChem CID24710253
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name1-(2-acetamidoacetyl)piperidine-3-carboxylic acid
SMILESCC(=O)NCC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C10H16N2O4/c1-7(13)11-5-9(14)12-4-2-3-8(6-12)10(15)16/h8H,2-6H2,1H3,(H,11,13)(H,15,16)
InChIKeyBSLXZBXYYMDIMH-UHFFFAOYSA-N
XLogP-0.55
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-{[1-((R)-2-Acetylamino-6-amino-hexanoyl)-piperidine-3-carbonyl]-amino}-propionic acid
CID 9999236
3-{[1-((S)-2-Acetylamino-6-amino-hexanoyl)-piperidine-3-carbonyl]-amino}-propionic acid
CID 10317079
2-[(2S,5S)-5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]acetic acid
CID 57345543
5-(2,2-Dimethyl-3-oxo-piperazin-1-yl)-5-oxo-pentanoic acid
CID 1089069
3-[(2S,5S)-5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]propanoic acid
CID 16098234
(3R,5S)-5-acetamidopiperidine-3-carboxylic acid
CID 44270778
(3R,5S)-3-amino-5-(2-boronoethyl)-1-[2-(methylamino)acetyl]piperidine-3-carboxylic acid
CID 152028352
3-[[1-(2-Acetamido-6-aminohexanoyl)piperidine-3-carbonyl]amino]propanoic acid
CID 9976431
(3S,4R)-4-acetamidopiperidine-3-carboxylic acid
CID 44270774
3-[(2S,5S)-3,6-dioxo-5-propan-2-ylpiperazin-2-yl]propanoic acid
CID 110191810
3-[(2S,5S)-5-[(2S)-butan-2-yl]-3,6-dioxopiperazin-2-yl]propanoic acid
CID 163109468
Cyclo-(L-Leu-N-ethyl-L-Glu)
CID 170989636

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetamidoacetyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-acetamidoacetyl)piperidine-3-carboxylic acid (CID 24710253) is 1-(2-acetamidoacetyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-acetamidoacetyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-acetamidoacetyl)piperidine-3-carboxylic acid is CC(=O)NCC(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-(2-acetamidoacetyl)piperidine-3-carboxylic acid?
The InChIKey is BSLXZBXYYMDIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-7(13)11-5-9(14)12-4-2-3-8(6-12)10(15)16/h8H,2-6H2,1H3,(H,11,13)(H,15,16).
What are the key properties of 1-(2-acetamidoacetyl)piperidine-3-carboxylic acid?
1-(2-acetamidoacetyl)piperidine-3-carboxylic acid has a molecular weight of 228.25 g/mol, XLogP of -0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetamidoacetyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 24710253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).