2-amino-4-(diethylamino)pentanedioic acid

C9H18N2O4 — CID 22326431

IUPAC2-amino-4-(diethylamino)pentanedioic acid
SMILESCCN(CC)C(CC(N)C(=O)O)C(=O)O
InChIInChI=1S/C9H18N2O4/c1-3-11(4-2)7(9(14)15)5-6(10)8(12)13/h6-7H,3-5,10H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyIIPQUCPBURZQIN-UHFFFAOYSA-N
MW218.25 g/mol
LogP-0.42
Rot. Bonds7

About 2-amino-4-(diethylamino)pentanedioic acid

2-amino-4-(diethylamino)pentanedioic acid (PubChem CID 22326431) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-amino-4-(diethylamino)pentanedioic acid.

Molecular Properties

Compound Name2-amino-4-(diethylamino)pentanedioic acid
PubChem CID22326431
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Name2-amino-4-(diethylamino)pentanedioic acid
SMILESCCN(CC)C(CC(N)C(=O)O)C(=O)O
InChIInChI=1S/C9H18N2O4/c1-3-11(4-2)7(9(14)15)5-6(10)8(12)13/h6-7H,3-5,10H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyIIPQUCPBURZQIN-UHFFFAOYSA-N
XLogP-0.42
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-amino-4-(diethylamino)pentanedioic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(diethylamino)pentanedioic acid?
The IUPAC name of 2-amino-4-(diethylamino)pentanedioic acid (CID 22326431) is 2-amino-4-(diethylamino)pentanedioic acid.
What is the SMILES notation for 2-amino-4-(diethylamino)pentanedioic acid?
The canonical SMILES for 2-amino-4-(diethylamino)pentanedioic acid is CCN(CC)C(CC(N)C(=O)O)C(=O)O.
What is the InChIKey of 2-amino-4-(diethylamino)pentanedioic acid?
The InChIKey is IIPQUCPBURZQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-3-11(4-2)7(9(14)15)5-6(10)8(12)13/h6-7H,3-5,10H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-amino-4-(diethylamino)pentanedioic acid?
2-amino-4-(diethylamino)pentanedioic acid has a molecular weight of 218.25 g/mol, XLogP of -0.42, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(diethylamino)pentanedioic acid is sourced from PubChem (CID 22326431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).