2-[(3-butoxy-2-hydroxypropyl)-(carboxymethyl)amino]acetic acid

C11H21NO6 — CID 14572971

IUPAC2-[(3-butoxy-2-hydroxypropyl)-(carboxymethyl)amino]acetic acid
SMILESCCCCOCC(O)CN(CC(=O)O)CC(=O)O
InChIInChI=1S/C11H21NO6/c1-2-3-4-18-8-9(13)5-12(6-10(14)15)7-11(16)17/h9,13H,2-8H2,1H3,(H,14,15)(H,16,17)
InChIKeyMEFRSPCAEIYGIX-UHFFFAOYSA-N
MW263.29 g/mol
LogP-0.36
Rot. Bonds11

About 2-[(3-butoxy-2-hydroxypropyl)-(carboxymethyl)amino]acetic acid

2-[(3-butoxy-2-hydroxypropyl)-(carboxymethyl)amino]acetic acid (PubChem CID 14572971) has the molecular formula C11H21NO6 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-[(3-butoxy-2-hydroxypropyl)-(carboxymethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-butoxy-2-hydroxypropyl)-(carboxymethyl)amino]acetic acid
PubChem CID14572971
Molecular FormulaC11H21NO6
Molecular Weight263.29 g/mol
Exact Mass263.14
IUPAC Name2-[(3-butoxy-2-hydroxypropyl)-(carboxymethyl)amino]acetic acid
SMILESCCCCOCC(O)CN(CC(=O)O)CC(=O)O
InChIInChI=1S/C11H21NO6/c1-2-3-4-18-8-9(13)5-12(6-10(14)15)7-11(16)17/h9,13H,2-8H2,1H3,(H,14,15)(H,16,17)
InChIKeyMEFRSPCAEIYGIX-UHFFFAOYSA-N
XLogP-0.36
TPSA107.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-butoxy-2-hydroxypropyl)-(carboxymethyl)amino]acetic acid?
The IUPAC name of 2-[(3-butoxy-2-hydroxypropyl)-(carboxymethyl)amino]acetic acid (CID 14572971) is 2-[(3-butoxy-2-hydroxypropyl)-(carboxymethyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-butoxy-2-hydroxypropyl)-(carboxymethyl)amino]acetic acid?
The canonical SMILES for 2-[(3-butoxy-2-hydroxypropyl)-(carboxymethyl)amino]acetic acid is CCCCOCC(O)CN(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[(3-butoxy-2-hydroxypropyl)-(carboxymethyl)amino]acetic acid?
The InChIKey is MEFRSPCAEIYGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO6/c1-2-3-4-18-8-9(13)5-12(6-10(14)15)7-11(16)17/h9,13H,2-8H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(3-butoxy-2-hydroxypropyl)-(carboxymethyl)amino]acetic acid?
2-[(3-butoxy-2-hydroxypropyl)-(carboxymethyl)amino]acetic acid has a molecular weight of 263.29 g/mol, XLogP of -0.36, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-butoxy-2-hydroxypropyl)-(carboxymethyl)amino]acetic acid is sourced from PubChem (CID 14572971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).