2-[2-[[3-[2-(carboxymethoxy)ethoxy]-2-hydroxypropyl]amino]ethylamino]acetic acid

C11H22N2O7 — CID 139456344

IUPAC2-[2-[[3-[2-(carboxymethoxy)ethoxy]-2-hydroxypropyl]amino]ethylamino]acetic acid
SMILESO=C(O)CNCCNCC(O)COCCOCC(=O)O
InChIInChI=1S/C11H22N2O7/c14-9(5-12-1-2-13-6-10(15)16)7-19-3-4-20-8-11(17)18/h9,12-14H,1-8H2,(H,15,16)(H,17,18)
InChIKeyJUXQDINLXMFNOJ-UHFFFAOYSA-N
MW294.30 g/mol
LogP-2.27
Rot. Bonds14

About 2-[2-[[3-[2-(carboxymethoxy)ethoxy]-2-hydroxypropyl]amino]ethylamino]acetic acid

2-[2-[[3-[2-(carboxymethoxy)ethoxy]-2-hydroxypropyl]amino]ethylamino]acetic acid (PubChem CID 139456344) has the molecular formula C11H22N2O7 and a molecular weight of 294.30 g/mol. Its IUPAC name is 2-[2-[[3-[2-(carboxymethoxy)ethoxy]-2-hydroxypropyl]amino]ethylamino]acetic acid.

Molecular Properties

Compound Name2-[2-[[3-[2-(carboxymethoxy)ethoxy]-2-hydroxypropyl]amino]ethylamino]acetic acid
PubChem CID139456344
Molecular FormulaC11H22N2O7
Molecular Weight294.30 g/mol
Exact Mass294.14
IUPAC Name2-[2-[[3-[2-(carboxymethoxy)ethoxy]-2-hydroxypropyl]amino]ethylamino]acetic acid
SMILESO=C(O)CNCCNCC(O)COCCOCC(=O)O
InChIInChI=1S/C11H22N2O7/c14-9(5-12-1-2-13-6-10(15)16)7-19-3-4-20-8-11(17)18/h9,12-14H,1-8H2,(H,15,16)(H,17,18)
InChIKeyJUXQDINLXMFNOJ-UHFFFAOYSA-N
XLogP-2.27
TPSA137.35 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 5-2.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-propoxy-3-(propylamino)propan-2-ol
CID 90907979
(2R)-1-[2-[[(2R)-2-hydroxy-3-(3-methylbutoxy)propyl]amino]ethylamino]-3-(3-methylbutoxy)propan-2-ol
CID 92759286
2-[2-[2-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]propoxy]ethoxy]acetic acid
CID 166714895
4-[(2-hydroxy-3-methoxypropyl)amino]butanoic acid
CID 63930297
(2R)-1-[2-[[(2S)-2-hydroxy-3-pentoxypropyl]amino]ethylamino]-3-pentoxypropan-2-ol
CID 92765334
2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]acetic acid
CID 63989473
3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]propanamide
CID 60910580
methyl 3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]propanoate
CID 54935728
1-(2-methoxyethoxy)-3-[4-(2-methoxyethoxy)butylamino]propan-2-ol
CID 106990471
2-[2-[2-[2-[2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 166714881
2-[(2-hydroxy-3-phosphonooxypropyl)amino]acetic acid
CID 57152304
acetic acid;2-[2-[2-[2-(carboxymethylamino)ethoxy]ethoxy]ethylamino]acetic acid
CID 53400535

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-[2-(carboxymethoxy)ethoxy]-2-hydroxypropyl]amino]ethylamino]acetic acid?
The IUPAC name of 2-[2-[[3-[2-(carboxymethoxy)ethoxy]-2-hydroxypropyl]amino]ethylamino]acetic acid (CID 139456344) is 2-[2-[[3-[2-(carboxymethoxy)ethoxy]-2-hydroxypropyl]amino]ethylamino]acetic acid.
What is the SMILES notation for 2-[2-[[3-[2-(carboxymethoxy)ethoxy]-2-hydroxypropyl]amino]ethylamino]acetic acid?
The canonical SMILES for 2-[2-[[3-[2-(carboxymethoxy)ethoxy]-2-hydroxypropyl]amino]ethylamino]acetic acid is O=C(O)CNCCNCC(O)COCCOCC(=O)O.
What is the InChIKey of 2-[2-[[3-[2-(carboxymethoxy)ethoxy]-2-hydroxypropyl]amino]ethylamino]acetic acid?
The InChIKey is JUXQDINLXMFNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O7/c14-9(5-12-1-2-13-6-10(15)16)7-19-3-4-20-8-11(17)18/h9,12-14H,1-8H2,(H,15,16)(H,17,18).
What are the key properties of 2-[2-[[3-[2-(carboxymethoxy)ethoxy]-2-hydroxypropyl]amino]ethylamino]acetic acid?
2-[2-[[3-[2-(carboxymethoxy)ethoxy]-2-hydroxypropyl]amino]ethylamino]acetic acid has a molecular weight of 294.30 g/mol, XLogP of -2.27, 14 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-[2-(carboxymethoxy)ethoxy]-2-hydroxypropyl]amino]ethylamino]acetic acid is sourced from PubChem (CID 139456344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).