3-[acetyl(propyl)amino]piperidine-4-carboxylic acid

C11H20N2O3 — CID 123614120

IUPAC3-[acetyl(propyl)amino]piperidine-4-carboxylic acid
SMILESCCCN(C(C)=O)C1CNCCC1C(=O)O
InChIInChI=1S/C11H20N2O3/c1-3-6-13(8(2)14)10-7-12-5-4-9(10)11(15)16/h9-10,12H,3-7H2,1-2H3,(H,15,16)
InChIKeyYAQBBBBPSWYQFW-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.31
Rot. Bonds4

About 3-[acetyl(propyl)amino]piperidine-4-carboxylic acid

3-[acetyl(propyl)amino]piperidine-4-carboxylic acid (PubChem CID 123614120) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-[acetyl(propyl)amino]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[acetyl(propyl)amino]piperidine-4-carboxylic acid
PubChem CID123614120
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-[acetyl(propyl)amino]piperidine-4-carboxylic acid
SMILESCCCN(C(C)=O)C1CNCCC1C(=O)O
InChIInChI=1S/C11H20N2O3/c1-3-6-13(8(2)14)10-7-12-5-4-9(10)11(15)16/h9-10,12H,3-7H2,1-2H3,(H,15,16)
InChIKeyYAQBBBBPSWYQFW-UHFFFAOYSA-N
XLogP0.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(propyl)amino]piperidine-4-carboxylic acid?
The IUPAC name of 3-[acetyl(propyl)amino]piperidine-4-carboxylic acid (CID 123614120) is 3-[acetyl(propyl)amino]piperidine-4-carboxylic acid.
What is the SMILES notation for 3-[acetyl(propyl)amino]piperidine-4-carboxylic acid?
The canonical SMILES for 3-[acetyl(propyl)amino]piperidine-4-carboxylic acid is CCCN(C(C)=O)C1CNCCC1C(=O)O.
What is the InChIKey of 3-[acetyl(propyl)amino]piperidine-4-carboxylic acid?
The InChIKey is YAQBBBBPSWYQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-6-13(8(2)14)10-7-12-5-4-9(10)11(15)16/h9-10,12H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 3-[acetyl(propyl)amino]piperidine-4-carboxylic acid?
3-[acetyl(propyl)amino]piperidine-4-carboxylic acid has a molecular weight of 228.29 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(propyl)amino]piperidine-4-carboxylic acid is sourced from PubChem (CID 123614120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).