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

Analyze 4-amino-1-propylpyrrolidine-2,4-dicarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-1-(5-phenylpentyl)pyrrolidine-2,4-dicarboxylic acid
CID 22369490
(2R,4S)-4-aminopyrrolidine-1,2,4-tricarboxylic acid
CID 11644213
(2R,4R)-4-amino-1-(2-methoxyacetyl)pyrrolidine-2,4-dicarboxylic acid
CID 11499735
4-amino-1-(2-methoxyacetyl)pyrrolidine-2,4-dicarboxylic acid
CID 23102672
1-propylaziridine-2-carboxylic acid
CID 59817296
(2S)-4-amino-1-(2-carboxyacetyl)pyrrolidine-2,4-dicarboxylic acid
CID 59652934
4-amino-1-[carboxy(propyl)carbamothioyl]pyrrolidine-2,4-dicarboxylic acid
CID 90993334
4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,4-dicarboxylic acid
CID 22369510
(2R,4R)-4-amino-1-(5-carboxypentanoyl)pyrrolidine-2,4-dicarboxylic acid
CID 11623609
(2R,4S)-4-amino-1-(4-carboxybutanoyl)pyrrolidine-2,4-dicarboxylic acid
CID 11550997
(2R,4R)-4-amino-1-[(3-nitrophenyl)methyl]pyrrolidine-2,4-dicarboxylic acid
CID 10385210
8-[2-(4-hydroxyphenyl)acetyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 70711706

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).