3-[(1-acetylpiperidine-3-carbonyl)amino]propanoic acid

C11H18N2O4 — CID 43354838

IUPAC3-[(1-acetylpiperidine-3-carbonyl)amino]propanoic acid
SMILESCC(=O)N1CCCC(C(=O)NCCC(=O)O)C1
InChIInChI=1S/C11H18N2O4/c1-8(14)13-6-2-3-9(7-13)11(17)12-5-4-10(15)16/h9H,2-7H2,1H3,(H,12,17)(H,15,16)
InChIKeyJFXLNOQQKBQNLD-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.16
Rot. Bonds4

About 3-[(1-acetylpiperidine-3-carbonyl)amino]propanoic acid

3-[(1-acetylpiperidine-3-carbonyl)amino]propanoic acid (PubChem CID 43354838) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 3-[(1-acetylpiperidine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(1-acetylpiperidine-3-carbonyl)amino]propanoic acid
PubChem CID43354838
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name3-[(1-acetylpiperidine-3-carbonyl)amino]propanoic acid
SMILESCC(=O)N1CCCC(C(=O)NCCC(=O)O)C1
InChIInChI=1S/C11H18N2O4/c1-8(14)13-6-2-3-9(7-13)11(17)12-5-4-10(15)16/h9H,2-7H2,1H3,(H,12,17)(H,15,16)
InChIKeyJFXLNOQQKBQNLD-UHFFFAOYSA-N
XLogP-0.16
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 ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-acetylpiperidine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[(1-acetylpiperidine-3-carbonyl)amino]propanoic acid (CID 43354838) is 3-[(1-acetylpiperidine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[(1-acetylpiperidine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[(1-acetylpiperidine-3-carbonyl)amino]propanoic acid is CC(=O)N1CCCC(C(=O)NCCC(=O)O)C1.
What is the InChIKey of 3-[(1-acetylpiperidine-3-carbonyl)amino]propanoic acid?
The InChIKey is JFXLNOQQKBQNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-8(14)13-6-2-3-9(7-13)11(17)12-5-4-10(15)16/h9H,2-7H2,1H3,(H,12,17)(H,15,16).
What are the key properties of 3-[(1-acetylpiperidine-3-carbonyl)amino]propanoic acid?
3-[(1-acetylpiperidine-3-carbonyl)amino]propanoic acid has a molecular weight of 242.27 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-acetylpiperidine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 43354838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).