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

C11H18N2O4 — CID 43355950

IUPAC1-(3-acetamidopropanoyl)piperidine-2-carboxylic acid
SMILESCC(=O)NCCC(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C11H18N2O4/c1-8(14)12-6-5-10(15)13-7-3-2-4-9(13)11(16)17/h9H,2-7H2,1H3,(H,12,14)(H,16,17)
InChIKeyXKUZIGXOLVBXHQ-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.02
Rot. Bonds4

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

1-(3-acetamidopropanoyl)piperidine-2-carboxylic acid (PubChem CID 43355950) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 1-(3-acetamidopropanoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-acetamidopropanoyl)piperidine-2-carboxylic acid
PubChem CID43355950
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name1-(3-acetamidopropanoyl)piperidine-2-carboxylic acid
SMILESCC(=O)NCCC(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C11H18N2O4/c1-8(14)12-6-5-10(15)13-7-3-2-4-9(13)11(16)17/h9H,2-7H2,1H3,(H,12,14)(H,16,17)
InChIKeyXKUZIGXOLVBXHQ-UHFFFAOYSA-N
XLogP-0.02
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-acetamidohexanoyl)azepane-2-carboxylic acid
CID 64559922
(2S)-1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]piperidine-2-carboxylic acid
CID 66262991
1-[3-(propan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 61157681
(2R)-1-(2-methoxyacetyl)piperidine-2-carboxylic acid
CID 30046872
(2S)-1-(3-methylsulfanylpropanoyl)piperidine-2-carboxylic acid
CID 28778059
1-(3-aminopropanoyl)azepane-2-carboxylic acid
CID 64564266
(2R)-1-[3-(thiophene-3-carbonylamino)propanoyl]piperidine-2-carboxylic acid
CID 79035340
(2R)-1-nonanoylpiperidine-2-carboxylic acid
CID 69288124
(2S)-1-[3-(cyclopentanecarbonylamino)propanoyl]-N-methylpiperidine-2-carboxamide
CID 32599029
1-decanoylazepane-2-carboxylic acid
CID 64558604
(2S)-1-(3-propoxypropanoyl)piperidine-2-carboxylic acid
CID 66263294
(2R)-1-[2-(2-carboxyethylamino)-2-oxoacetyl]piperidine-2-carboxylic acid
CID 79034718

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetamidopropanoyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(3-acetamidopropanoyl)piperidine-2-carboxylic acid (CID 43355950) is 1-(3-acetamidopropanoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-acetamidopropanoyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(3-acetamidopropanoyl)piperidine-2-carboxylic acid is CC(=O)NCCC(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-(3-acetamidopropanoyl)piperidine-2-carboxylic acid?
The InChIKey is XKUZIGXOLVBXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-8(14)12-6-5-10(15)13-7-3-2-4-9(13)11(16)17/h9H,2-7H2,1H3,(H,12,14)(H,16,17).
What are the key properties of 1-(3-acetamidopropanoyl)piperidine-2-carboxylic acid?
1-(3-acetamidopropanoyl)piperidine-2-carboxylic acid has a molecular weight of 242.27 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetamidopropanoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 43355950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).