3-amino-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolidine-3-carboxylic acid

C13H23N3O3 — CID 107325006

IUPAC3-amino-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolidine-3-carboxylic acid
SMILESCC(C(=O)N1CCCCC1)N1CCC(N)(C(=O)O)C1
InChIInChI=1S/C13H23N3O3/c1-10(11(17)15-6-3-2-4-7-15)16-8-5-13(14,9-16)12(18)19/h10H,2-9,14H2,1H3,(H,18,19)
InChIKeyFASAVZAXGGAKTM-UHFFFAOYSA-N
MW269.34 g/mol
LogP-0.12
Rot. Bonds3

About 3-amino-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolidine-3-carboxylic acid

3-amino-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolidine-3-carboxylic acid (PubChem CID 107325006) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-amino-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolidine-3-carboxylic acid
PubChem CID107325006
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name3-amino-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolidine-3-carboxylic acid
SMILESCC(C(=O)N1CCCCC1)N1CCC(N)(C(=O)O)C1
InChIInChI=1S/C13H23N3O3/c1-10(11(17)15-6-3-2-4-7-15)16-8-5-13(14,9-16)12(18)19/h10H,2-9,14H2,1H3,(H,18,19)
InChIKeyFASAVZAXGGAKTM-UHFFFAOYSA-N
XLogP-0.12
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolidine-3-carboxylic acid (CID 107325006) is 3-amino-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolidine-3-carboxylic acid is CC(C(=O)N1CCCCC1)N1CCC(N)(C(=O)O)C1.
What is the InChIKey of 3-amino-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is FASAVZAXGGAKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-10(11(17)15-6-3-2-4-7-15)16-8-5-13(14,9-16)12(18)19/h10H,2-9,14H2,1H3,(H,18,19).
What are the key properties of 3-amino-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolidine-3-carboxylic acid?
3-amino-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107325006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).