1-(4-aminobutyl)pyrrolidine-2,4-dicarboxylic acid

C10H18N2O4 — CID 67760725

IUPAC1-(4-aminobutyl)pyrrolidine-2,4-dicarboxylic acid
SMILESNCCCCN1CC(C(=O)O)CC1C(=O)O
InChIInChI=1S/C10H18N2O4/c11-3-1-2-4-12-6-7(9(13)14)5-8(12)10(15)16/h7-8H,1-6,11H2,(H,13,14)(H,15,16)
InChIKeySBDPKMJGBNBUMD-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.41
Rot. Bonds6

About 1-(4-aminobutyl)pyrrolidine-2,4-dicarboxylic acid

1-(4-aminobutyl)pyrrolidine-2,4-dicarboxylic acid (PubChem CID 67760725) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 1-(4-aminobutyl)pyrrolidine-2,4-dicarboxylic acid.

Molecular Properties

Compound Name1-(4-aminobutyl)pyrrolidine-2,4-dicarboxylic acid
PubChem CID67760725
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name1-(4-aminobutyl)pyrrolidine-2,4-dicarboxylic acid
SMILESNCCCCN1CC(C(=O)O)CC1C(=O)O
InChIInChI=1S/C10H18N2O4/c11-3-1-2-4-12-6-7(9(13)14)5-8(12)10(15)16/h7-8H,1-6,11H2,(H,13,14)(H,15,16)
InChIKeySBDPKMJGBNBUMD-UHFFFAOYSA-N
XLogP-0.41
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(4-aminobutyl)pyrrolidine-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-ethoxycarbonyl-1-pentylpyrrolidine-2-carboxylic acid
CID 154511089
(2S,4R)-1-butyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 67718958
1-butylaziridine-2-carboxylic acid
CID 11643985
1-(2-fluoroethyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351489
1-phosphanylpyrrolidine-2,4-dicarboxylic acid
CID 134285736
(2S,4S)-pyrrolidine-1,2,4-tricarboxylic acid
CID 57440863
4-hydroxy-1-(4,4,4-trifluorobutyl)pyrrolidine-2-carboxylic acid
CID 114351642
(3R)-1-(3-aminopropyl)-5-oxopyrrolidine-3-carboxylic acid
CID 92755218
CID 175766010
CID 175766010
1-pentyl-4-pyrrol-1-ylpyrrolidine-2-carboxylic acid
CID 172783371
cyclopropanecarboxylic acid;decan-1-amine
CID 157428816
1-propylaziridine-2-carboxylic acid
CID 59817296

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminobutyl)pyrrolidine-2,4-dicarboxylic acid?
The IUPAC name of 1-(4-aminobutyl)pyrrolidine-2,4-dicarboxylic acid (CID 67760725) is 1-(4-aminobutyl)pyrrolidine-2,4-dicarboxylic acid.
What is the SMILES notation for 1-(4-aminobutyl)pyrrolidine-2,4-dicarboxylic acid?
The canonical SMILES for 1-(4-aminobutyl)pyrrolidine-2,4-dicarboxylic acid is NCCCCN1CC(C(=O)O)CC1C(=O)O.
What is the InChIKey of 1-(4-aminobutyl)pyrrolidine-2,4-dicarboxylic acid?
The InChIKey is SBDPKMJGBNBUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c11-3-1-2-4-12-6-7(9(13)14)5-8(12)10(15)16/h7-8H,1-6,11H2,(H,13,14)(H,15,16).
What are the key properties of 1-(4-aminobutyl)pyrrolidine-2,4-dicarboxylic acid?
1-(4-aminobutyl)pyrrolidine-2,4-dicarboxylic acid has a molecular weight of 230.26 g/mol, XLogP of -0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminobutyl)pyrrolidine-2,4-dicarboxylic acid is sourced from PubChem (CID 67760725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).