3-amino-1-propanoylpyrrolidine-3-carboxylic acid

C8H14N2O3 — CID 107323255

IUPAC3-amino-1-propanoylpyrrolidine-3-carboxylic acid
SMILESCCC(=O)N1CCC(N)(C(=O)O)C1
InChIInChI=1S/C8H14N2O3/c1-2-6(11)10-4-3-8(9,5-10)7(12)13/h2-5,9H2,1H3,(H,12,13)
InChIKeyBJGWVYPNJDDKQB-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.59
Rot. Bonds2

About 3-amino-1-propanoylpyrrolidine-3-carboxylic acid

3-amino-1-propanoylpyrrolidine-3-carboxylic acid (PubChem CID 107323255) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 3-amino-1-propanoylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-propanoylpyrrolidine-3-carboxylic acid
PubChem CID107323255
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name3-amino-1-propanoylpyrrolidine-3-carboxylic acid
SMILESCCC(=O)N1CCC(N)(C(=O)O)C1
InChIInChI=1S/C8H14N2O3/c1-2-6(11)10-4-3-8(9,5-10)7(12)13/h2-5,9H2,1H3,(H,12,13)
InChIKeyBJGWVYPNJDDKQB-UHFFFAOYSA-N
XLogP-0.59
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-propanoylpyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-propanoylpyrrolidine-3-carboxylic acid (CID 107323255) is 3-amino-1-propanoylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-propanoylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-propanoylpyrrolidine-3-carboxylic acid is CCC(=O)N1CCC(N)(C(=O)O)C1.
What is the InChIKey of 3-amino-1-propanoylpyrrolidine-3-carboxylic acid?
The InChIKey is BJGWVYPNJDDKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-2-6(11)10-4-3-8(9,5-10)7(12)13/h2-5,9H2,1H3,(H,12,13).
What are the key properties of 3-amino-1-propanoylpyrrolidine-3-carboxylic acid?
3-amino-1-propanoylpyrrolidine-3-carboxylic acid has a molecular weight of 186.21 g/mol, XLogP of -0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-propanoylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107323255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).