6-[2-carboxyethyl(3-carboxypropyl)amino]hexanoic acid

C13H23NO6 — CID 82330595

IUPAC6-[2-carboxyethyl(3-carboxypropyl)amino]hexanoic acid
SMILESO=C(O)CCCCCN(CCCC(=O)O)CCC(=O)O
InChIInChI=1S/C13H23NO6/c15-11(16)5-2-1-3-8-14(10-7-13(19)20)9-4-6-12(17)18/h1-10H2,(H,15,16)(H,17,18)(H,19,20)
InChIKeyJUQYECNJKRRTCW-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.27
Rot. Bonds13

About 6-[2-carboxyethyl(3-carboxypropyl)amino]hexanoic acid

6-[2-carboxyethyl(3-carboxypropyl)amino]hexanoic acid (PubChem CID 82330595) has the molecular formula C13H23NO6 and a molecular weight of 289.33 g/mol. Its IUPAC name is 6-[2-carboxyethyl(3-carboxypropyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[2-carboxyethyl(3-carboxypropyl)amino]hexanoic acid
PubChem CID82330595
Molecular FormulaC13H23NO6
Molecular Weight289.33 g/mol
Exact Mass289.15
IUPAC Name6-[2-carboxyethyl(3-carboxypropyl)amino]hexanoic acid
SMILESO=C(O)CCCCCN(CCCC(=O)O)CCC(=O)O
InChIInChI=1S/C13H23NO6/c15-11(16)5-2-1-3-8-14(10-7-13(19)20)9-4-6-12(17)18/h1-10H2,(H,15,16)(H,17,18)(H,19,20)
InChIKeyJUQYECNJKRRTCW-UHFFFAOYSA-N
XLogP1.27
TPSA115.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[2-carboxyethyl(3-carboxypropyl)amino]hexanoic 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-[bis(2-carboxyethyl)amino]butanoic acid
CID 82330594
6-[2-carboxyethyl(2-hydroxyethyl)amino]hexanoic acid
CID 82329589
4-(didodecylamino)butanoic acid
CID 101313875
6-[di(tridecyl)amino]hexanoic acid
CID 101314498
3-[di(pentadecyl)amino]propanoic acid
CID 101313726
3-(dioctadecylamino)propanoic acid
CID 101313756
4-[2-[3-carboxypropyl(dodecyl)amino]ethyl-dodecylamino]butanoic acid
CID 156699856
4-[2-carboxyethyl(ethyl)amino]butanoic acid
CID 82330570
5-[bis(carboxymethyl)amino]pentanoic acid
CID 23422745
3-[2-[bis(2-carboxyethyl)amino]ethyl-(2-carboxyethyl)amino]propanoic acid;ethane
CID 145349461
3-[pentyl(propyl)amino]propanoic acid
CID 82328254
3-[hexyl(2-hydroxyethyl)amino]propanoic acid
CID 82329561

Frequently Asked Questions

What is the IUPAC name of 6-[2-carboxyethyl(3-carboxypropyl)amino]hexanoic acid?
The IUPAC name of 6-[2-carboxyethyl(3-carboxypropyl)amino]hexanoic acid (CID 82330595) is 6-[2-carboxyethyl(3-carboxypropyl)amino]hexanoic acid.
What is the SMILES notation for 6-[2-carboxyethyl(3-carboxypropyl)amino]hexanoic acid?
The canonical SMILES for 6-[2-carboxyethyl(3-carboxypropyl)amino]hexanoic acid is O=C(O)CCCCCN(CCCC(=O)O)CCC(=O)O.
What is the InChIKey of 6-[2-carboxyethyl(3-carboxypropyl)amino]hexanoic acid?
The InChIKey is JUQYECNJKRRTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO6/c15-11(16)5-2-1-3-8-14(10-7-13(19)20)9-4-6-12(17)18/h1-10H2,(H,15,16)(H,17,18)(H,19,20).
What are the key properties of 6-[2-carboxyethyl(3-carboxypropyl)amino]hexanoic acid?
6-[2-carboxyethyl(3-carboxypropyl)amino]hexanoic acid has a molecular weight of 289.33 g/mol, XLogP of 1.27, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-carboxyethyl(3-carboxypropyl)amino]hexanoic acid is sourced from PubChem (CID 82330595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).