2-[2-[carboxymethyl-[2-(prop-2-enylamino)ethyl]amino]ethylamino]acetic acid

C11H21N3O4 — CID 143151864

IUPAC2-[2-[carboxymethyl-[2-(prop-2-enylamino)ethyl]amino]ethylamino]acetic acid
SMILESC=CCNCCN(CCNCC(=O)O)CC(=O)O
InChIInChI=1S/C11H21N3O4/c1-2-3-12-4-6-14(9-11(17)18)7-5-13-8-10(15)16/h2,12-13H,1,3-9H2,(H,15,16)(H,17,18)
InChIKeyWLVQCZIMXUEPBA-UHFFFAOYSA-N
MW259.31 g/mol
LogP-1.18
Rot. Bonds12

About 2-[2-[carboxymethyl-[2-(prop-2-enylamino)ethyl]amino]ethylamino]acetic acid

2-[2-[carboxymethyl-[2-(prop-2-enylamino)ethyl]amino]ethylamino]acetic acid (PubChem CID 143151864) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[2-[carboxymethyl-[2-(prop-2-enylamino)ethyl]amino]ethylamino]acetic acid.

Molecular Properties

Compound Name2-[2-[carboxymethyl-[2-(prop-2-enylamino)ethyl]amino]ethylamino]acetic acid
PubChem CID143151864
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name2-[2-[carboxymethyl-[2-(prop-2-enylamino)ethyl]amino]ethylamino]acetic acid
SMILESC=CCNCCN(CCNCC(=O)O)CC(=O)O
InChIInChI=1S/C11H21N3O4/c1-2-3-12-4-6-14(9-11(17)18)7-5-13-8-10(15)16/h2,12-13H,1,3-9H2,(H,15,16)(H,17,18)
InChIKeyWLVQCZIMXUEPBA-UHFFFAOYSA-N
XLogP-1.18
TPSA101.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-1.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[carboxymethyl-[2-(prop-2-enylamino)ethyl]amino]ethylamino]acetic acid?
The IUPAC name of 2-[2-[carboxymethyl-[2-(prop-2-enylamino)ethyl]amino]ethylamino]acetic acid (CID 143151864) is 2-[2-[carboxymethyl-[2-(prop-2-enylamino)ethyl]amino]ethylamino]acetic acid.
What is the SMILES notation for 2-[2-[carboxymethyl-[2-(prop-2-enylamino)ethyl]amino]ethylamino]acetic acid?
The canonical SMILES for 2-[2-[carboxymethyl-[2-(prop-2-enylamino)ethyl]amino]ethylamino]acetic acid is C=CCNCCN(CCNCC(=O)O)CC(=O)O.
What is the InChIKey of 2-[2-[carboxymethyl-[2-(prop-2-enylamino)ethyl]amino]ethylamino]acetic acid?
The InChIKey is WLVQCZIMXUEPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-2-3-12-4-6-14(9-11(17)18)7-5-13-8-10(15)16/h2,12-13H,1,3-9H2,(H,15,16)(H,17,18).
What are the key properties of 2-[2-[carboxymethyl-[2-(prop-2-enylamino)ethyl]amino]ethylamino]acetic acid?
2-[2-[carboxymethyl-[2-(prop-2-enylamino)ethyl]amino]ethylamino]acetic acid has a molecular weight of 259.31 g/mol, XLogP of -1.18, 12 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[carboxymethyl-[2-(prop-2-enylamino)ethyl]amino]ethylamino]acetic acid is sourced from PubChem (CID 143151864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).