4-methyl-1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-4-carboxylic acid

C13H24N2O3 — CID 55176993

IUPAC4-methyl-1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-4-carboxylic acid
SMILESCC(C)NC(=O)CCN1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C13H24N2O3/c1-10(2)14-11(16)4-7-15-8-5-13(3,6-9-15)12(17)18/h10H,4-9H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyRFPUOLDTNGSSAY-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.09
Rot. Bonds5

About 4-methyl-1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-4-carboxylic acid

4-methyl-1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-4-carboxylic acid (PubChem CID 55176993) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-methyl-1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-4-carboxylic acid
PubChem CID55176993
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name4-methyl-1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-4-carboxylic acid
SMILESCC(C)NC(=O)CCN1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C13H24N2O3/c1-10(2)14-11(16)4-7-15-8-5-13(3,6-9-15)12(17)18/h10H,4-9H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyRFPUOLDTNGSSAY-UHFFFAOYSA-N
XLogP1.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-methyl-1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-4-carboxylic acid (CID 55176993) is 4-methyl-1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-methyl-1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-4-carboxylic acid is CC(C)NC(=O)CCN1CCC(C)(C(=O)O)CC1.
What is the InChIKey of 4-methyl-1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-4-carboxylic acid?
The InChIKey is RFPUOLDTNGSSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10(2)14-11(16)4-7-15-8-5-13(3,6-9-15)12(17)18/h10H,4-9H2,1-3H3,(H,14,16)(H,17,18).
What are the key properties of 4-methyl-1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-4-carboxylic acid?
4-methyl-1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-4-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 55176993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).