2-[2-[2-(1-carboxyethoxy)ethyl-(carboxymethyl)amino]ethoxy]propanoic acid

C12H21NO8 — CID 90459132

IUPAC2-[2-[2-(1-carboxyethoxy)ethyl-(carboxymethyl)amino]ethoxy]propanoic acid
SMILESCC(OCCN(CCOC(C)C(=O)O)CC(=O)O)C(=O)O
InChIInChI=1S/C12H21NO8/c1-8(11(16)17)20-5-3-13(7-10(14)15)4-6-21-9(2)12(18)19/h8-9H,3-7H2,1-2H3,(H,14,15)(H,16,17)(H,18,19)
InChIKeyBDWWGINOMUCHRU-UHFFFAOYSA-N
MW307.30 g/mol
LogP-0.65
Rot. Bonds12

About 2-[2-[2-(1-carboxyethoxy)ethyl-(carboxymethyl)amino]ethoxy]propanoic acid

2-[2-[2-(1-carboxyethoxy)ethyl-(carboxymethyl)amino]ethoxy]propanoic acid (PubChem CID 90459132) has the molecular formula C12H21NO8 and a molecular weight of 307.30 g/mol. Its IUPAC name is 2-[2-[2-(1-carboxyethoxy)ethyl-(carboxymethyl)amino]ethoxy]propanoic acid.

Molecular Properties

Compound Name2-[2-[2-(1-carboxyethoxy)ethyl-(carboxymethyl)amino]ethoxy]propanoic acid
PubChem CID90459132
Molecular FormulaC12H21NO8
Molecular Weight307.30 g/mol
Exact Mass307.13
IUPAC Name2-[2-[2-(1-carboxyethoxy)ethyl-(carboxymethyl)amino]ethoxy]propanoic acid
SMILESCC(OCCN(CCOC(C)C(=O)O)CC(=O)O)C(=O)O
InChIInChI=1S/C12H21NO8/c1-8(11(16)17)20-5-3-13(7-10(14)15)4-6-21-9(2)12(18)19/h8-9H,3-7H2,1-2H3,(H,14,15)(H,16,17)(H,18,19)
InChIKeyBDWWGINOMUCHRU-UHFFFAOYSA-N
XLogP-0.65
TPSA133.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[bis(2-propan-2-yloxyethyl)amino]acetic acid
CID 157202089
2-[2-hydroxyethyl(2-propan-2-yloxyethyl)amino]acetic acid
CID 122500414
2-[2-hydroxyprop-2-enyl(2-propan-2-yloxyethyl)amino]acetic acid
CID 161235975
2-[2-propan-2-yloxyethyl(prop-2-enyl)amino]acetic acid
CID 79277607
2-[2-[2-(carboxymethoxy)ethyl-(carboxymethyl)amino]ethoxy]butanedioic acid
CID 137372270
ethane;2-[methyl(2-propan-2-yloxyethyl)amino]acetic acid
CID 156795596
2-(2-fluoroethoxy)propanoic acid
CID 84648269
2-(2-aminooxyethoxy)propanoic acid
CID 175557781
2-(5-bromopentoxy)propanoic acid
CID 54133516
2-[2-[2-[1-carboxyethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]propanoic acid
CID 19033802
azane;2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;ruthenium
CID 173217392
2-but-3-enoxypropanoic acid
CID 43128770

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(1-carboxyethoxy)ethyl-(carboxymethyl)amino]ethoxy]propanoic acid?
The IUPAC name of 2-[2-[2-(1-carboxyethoxy)ethyl-(carboxymethyl)amino]ethoxy]propanoic acid (CID 90459132) is 2-[2-[2-(1-carboxyethoxy)ethyl-(carboxymethyl)amino]ethoxy]propanoic acid.
What is the SMILES notation for 2-[2-[2-(1-carboxyethoxy)ethyl-(carboxymethyl)amino]ethoxy]propanoic acid?
The canonical SMILES for 2-[2-[2-(1-carboxyethoxy)ethyl-(carboxymethyl)amino]ethoxy]propanoic acid is CC(OCCN(CCOC(C)C(=O)O)CC(=O)O)C(=O)O.
What is the InChIKey of 2-[2-[2-(1-carboxyethoxy)ethyl-(carboxymethyl)amino]ethoxy]propanoic acid?
The InChIKey is BDWWGINOMUCHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO8/c1-8(11(16)17)20-5-3-13(7-10(14)15)4-6-21-9(2)12(18)19/h8-9H,3-7H2,1-2H3,(H,14,15)(H,16,17)(H,18,19).
What are the key properties of 2-[2-[2-(1-carboxyethoxy)ethyl-(carboxymethyl)amino]ethoxy]propanoic acid?
2-[2-[2-(1-carboxyethoxy)ethyl-(carboxymethyl)amino]ethoxy]propanoic acid has a molecular weight of 307.30 g/mol, XLogP of -0.65, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(1-carboxyethoxy)ethyl-(carboxymethyl)amino]ethoxy]propanoic acid is sourced from PubChem (CID 90459132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).