4-amino-1-propylpyrrolidine-2,4-dicarboxylic acid

C9H16N2O4 — CID 22369546

IUPAC4-amino-1-propylpyrrolidine-2,4-dicarboxylic acid
SMILESCCCN1CC(N)(C(=O)O)CC1C(=O)O
InChIInChI=1S/C9H16N2O4/c1-2-3-11-5-9(10,8(14)15)4-6(11)7(12)13/h6H,2-5,10H2,1H3,(H,12,13)(H,14,15)
InChIKeyILYSOAKLRYZWGW-UHFFFAOYSA-N
MW216.24 g/mol
LogP-0.66
Rot. Bonds4

About 4-amino-1-propylpyrrolidine-2,4-dicarboxylic acid

4-amino-1-propylpyrrolidine-2,4-dicarboxylic acid (PubChem CID 22369546) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 4-amino-1-propylpyrrolidine-2,4-dicarboxylic acid.

Molecular Properties

Compound Name4-amino-1-propylpyrrolidine-2,4-dicarboxylic acid
PubChem CID22369546
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name4-amino-1-propylpyrrolidine-2,4-dicarboxylic acid
SMILESCCCN1CC(N)(C(=O)O)CC1C(=O)O
InChIInChI=1S/C9H16N2O4/c1-2-3-11-5-9(10,8(14)15)4-6(11)7(12)13/h6H,2-5,10H2,1H3,(H,12,13)(H,14,15)
InChIKeyILYSOAKLRYZWGW-UHFFFAOYSA-N
XLogP-0.66
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-propylpyrrolidine-2,4-dicarboxylic acid?
The IUPAC name of 4-amino-1-propylpyrrolidine-2,4-dicarboxylic acid (CID 22369546) is 4-amino-1-propylpyrrolidine-2,4-dicarboxylic acid.
What is the SMILES notation for 4-amino-1-propylpyrrolidine-2,4-dicarboxylic acid?
The canonical SMILES for 4-amino-1-propylpyrrolidine-2,4-dicarboxylic acid is CCCN1CC(N)(C(=O)O)CC1C(=O)O.
What is the InChIKey of 4-amino-1-propylpyrrolidine-2,4-dicarboxylic acid?
The InChIKey is ILYSOAKLRYZWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-2-3-11-5-9(10,8(14)15)4-6(11)7(12)13/h6H,2-5,10H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 4-amino-1-propylpyrrolidine-2,4-dicarboxylic acid?
4-amino-1-propylpyrrolidine-2,4-dicarboxylic acid has a molecular weight of 216.24 g/mol, XLogP of -0.66, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-propylpyrrolidine-2,4-dicarboxylic acid is sourced from PubChem (CID 22369546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).