6-[carboxymethyl-[2-[2-[carboxymethyl(propyl)amino]ethyl-ethylamino]ethyl]amino]hexanoic acid

C19H37N3O6 — CID 162681486

IUPAC6-[carboxymethyl-[2-[2-[carboxymethyl(propyl)amino]ethyl-ethylamino]ethyl]amino]hexanoic acid
SMILESCCCN(CCN(CC)CCN(CCCCCC(=O)O)CC(=O)O)CC(=O)O
InChIInChI=1S/C19H37N3O6/c1-3-9-21(15-18(25)26)13-11-20(4-2)12-14-22(16-19(27)28)10-7-5-6-8-17(23)24/h3-16H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)
InChIKeyJYYVRCVUJSHJGE-UHFFFAOYSA-N
MW403.52 g/mol
LogP1.14
Rot. Bonds19

About 6-[carboxymethyl-[2-[2-[carboxymethyl(propyl)amino]ethyl-ethylamino]ethyl]amino]hexanoic acid

6-[carboxymethyl-[2-[2-[carboxymethyl(propyl)amino]ethyl-ethylamino]ethyl]amino]hexanoic acid (PubChem CID 162681486) has the molecular formula C19H37N3O6 and a molecular weight of 403.52 g/mol. Its IUPAC name is 6-[carboxymethyl-[2-[2-[carboxymethyl(propyl)amino]ethyl-ethylamino]ethyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[carboxymethyl-[2-[2-[carboxymethyl(propyl)amino]ethyl-ethylamino]ethyl]amino]hexanoic acid
PubChem CID162681486
Molecular FormulaC19H37N3O6
Molecular Weight403.52 g/mol
Exact Mass403.27
IUPAC Name6-[carboxymethyl-[2-[2-[carboxymethyl(propyl)amino]ethyl-ethylamino]ethyl]amino]hexanoic acid
SMILESCCCN(CCN(CC)CCN(CCCCCC(=O)O)CC(=O)O)CC(=O)O
InChIInChI=1S/C19H37N3O6/c1-3-9-21(15-18(25)26)13-11-20(4-2)12-14-22(16-19(27)28)10-7-5-6-8-17(23)24/h3-16H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)
InChIKeyJYYVRCVUJSHJGE-UHFFFAOYSA-N
XLogP1.14
TPSA121.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[propyl(undecyl)amino]acetic acid
CID 146831092
2-[5-hydroxypentyl(propyl)amino]acetic acid
CID 62228100
2-[di(pentadecyl)amino]acetic acid
CID 101313622
ethane;2-[ethyl(propyl)amino]acetic acid
CID 143677754
5-[bis(carboxymethyl)amino]pentanoic acid
CID 23422745
2-[2-(dipropylamino)ethyl-propylamino]acetic acid
CID 155392910
3-[ethyl(hexadecyl)amino]propanoic acid
CID 58963935
3-[dodecyl(ethyl)amino]propanoic acid
CID 62065544
6-[di(tridecyl)amino]hexanoic acid
CID 101314498
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;icosakis(pentanoic acid)
CID 173206314
4-[butyl(ethyl)amino]butanoic acid
CID 20991778
bis(4-[bis(carboxymethyl)amino]butanoic acid);2-[2-[carboxymethyl(ethyl)amino]ethyl-ethylamino]acetic acid;ethanamine
CID 173160493

Frequently Asked Questions

What is the IUPAC name of 6-[carboxymethyl-[2-[2-[carboxymethyl(propyl)amino]ethyl-ethylamino]ethyl]amino]hexanoic acid?
The IUPAC name of 6-[carboxymethyl-[2-[2-[carboxymethyl(propyl)amino]ethyl-ethylamino]ethyl]amino]hexanoic acid (CID 162681486) is 6-[carboxymethyl-[2-[2-[carboxymethyl(propyl)amino]ethyl-ethylamino]ethyl]amino]hexanoic acid.
What is the SMILES notation for 6-[carboxymethyl-[2-[2-[carboxymethyl(propyl)amino]ethyl-ethylamino]ethyl]amino]hexanoic acid?
The canonical SMILES for 6-[carboxymethyl-[2-[2-[carboxymethyl(propyl)amino]ethyl-ethylamino]ethyl]amino]hexanoic acid is CCCN(CCN(CC)CCN(CCCCCC(=O)O)CC(=O)O)CC(=O)O.
What is the InChIKey of 6-[carboxymethyl-[2-[2-[carboxymethyl(propyl)amino]ethyl-ethylamino]ethyl]amino]hexanoic acid?
The InChIKey is JYYVRCVUJSHJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O6/c1-3-9-21(15-18(25)26)13-11-20(4-2)12-14-22(16-19(27)28)10-7-5-6-8-17(23)24/h3-16H2,1-2H3,(H,23,24)(H,25,26)(H,27,28).
What are the key properties of 6-[carboxymethyl-[2-[2-[carboxymethyl(propyl)amino]ethyl-ethylamino]ethyl]amino]hexanoic acid?
6-[carboxymethyl-[2-[2-[carboxymethyl(propyl)amino]ethyl-ethylamino]ethyl]amino]hexanoic acid has a molecular weight of 403.52 g/mol, XLogP of 1.14, 19 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[carboxymethyl-[2-[2-[carboxymethyl(propyl)amino]ethyl-ethylamino]ethyl]amino]hexanoic acid is sourced from PubChem (CID 162681486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).