2-[carboxymethyl-[2-[carboxymethyl-[2-[2-(2-hydroxypropoxy)propoxy]-2-oxoethyl]amino]ethyl]amino]acetic acid

C16H28N2O10 — CID 87901439

IUPAC2-[carboxymethyl-[2-[carboxymethyl-[2-[2-(2-hydroxypropoxy)propoxy]-2-oxoethyl]amino]ethyl]amino]acetic acid
SMILESCC(O)COC(C)COC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O
InChIInChI=1S/C16H28N2O10/c1-11(19)9-27-12(2)10-28-16(26)8-18(7-15(24)25)4-3-17(5-13(20)21)6-14(22)23/h11-12,19H,3-10H2,1-2H3,(H,20,21)(H,22,23)(H,24,25)
InChIKeyKXMOGBCPGLSMCA-UHFFFAOYSA-N
MW408.40 g/mol
LogP-1.83
Rot. Bonds16

About 2-[carboxymethyl-[2-[carboxymethyl-[2-[2-(2-hydroxypropoxy)propoxy]-2-oxoethyl]amino]ethyl]amino]acetic acid

2-[carboxymethyl-[2-[carboxymethyl-[2-[2-(2-hydroxypropoxy)propoxy]-2-oxoethyl]amino]ethyl]amino]acetic acid (PubChem CID 87901439) has the molecular formula C16H28N2O10 and a molecular weight of 408.40 g/mol. Its IUPAC name is 2-[carboxymethyl-[2-[carboxymethyl-[2-[2-(2-hydroxypropoxy)propoxy]-2-oxoethyl]amino]ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[2-[carboxymethyl-[2-[2-(2-hydroxypropoxy)propoxy]-2-oxoethyl]amino]ethyl]amino]acetic acid
PubChem CID87901439
Molecular FormulaC16H28N2O10
Molecular Weight408.40 g/mol
Exact Mass408.17
IUPAC Name2-[carboxymethyl-[2-[carboxymethyl-[2-[2-(2-hydroxypropoxy)propoxy]-2-oxoethyl]amino]ethyl]amino]acetic acid
SMILESCC(O)COC(C)COC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O
InChIInChI=1S/C16H28N2O10/c1-11(19)9-27-12(2)10-28-16(26)8-18(7-15(24)25)4-3-17(5-13(20)21)6-14(22)23/h11-12,19H,3-10H2,1-2H3,(H,20,21)(H,22,23)(H,24,25)
InChIKeyKXMOGBCPGLSMCA-UHFFFAOYSA-N
XLogP-1.83
TPSA174.14 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.40
LogP ≤ 5-1.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 2-[carboxymethyl-[2-[carboxymethyl-[2-[2-(2-hydroxypropoxy)propoxy]-2-oxoethyl]amino]ethyl]amino]acetic acid with MolForge

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Related Compounds

2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-[3-(2-methylpropoxy)-3-oxopropyl]amino]acetic acid
CID 159214529
sodium;2-[carboxymethyl-[2-[carboxymethyl-[2-(2,3-dihydroxypropoxy)-2-oxoethyl]amino]ethyl]amino]acetic acid;ethanol;hydride
CID 173065893
2-(2-hydroxypropoxy)propyl hydrogen carbonate
CID 87304467
2-[carboxymethyl-[2-[carboxymethyl-[2-(2,3-dihydroxypropoxy)-2-oxoethyl]amino]ethyl]amino]acetic acid;ethanol;2-hydroxyethyl(trimethyl)azanium
CID 87369697
2-[2-(2-hydroxypropoxy)propoxy]propyl acetate
CID 87518170
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;2-[carboxymethyl-[2-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]ethyl]amino]acetic acid
CID 87578927
2-[2-[carboxymethyl-(2-ethoxy-2-oxoethyl)amino]ethyl-[2-[(2-ethoxy-2-oxoethyl)-ethylamino]ethyl]amino]acetic acid
CID 156509209
2-(2-hydroxypropoxy)propyl octanoate
CID 22496683
2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetic acid
CID 19388423
2-[carboxymethyl-[2-[carboxymethyl-[2-(2-ethoxyethoxy)-2-oxoethyl]amino]ethyl]amino]acetic acid
CID 174960302
2-[2-[[2-[(2S,3S,4R,5R)-2,3-bis[[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]oxy]-4,5,6-trihydroxyhexoxy]-2-oxoethyl]-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
CID 57259658
magnesium;2-[2-[(2-aminooxy-2-oxoethyl)-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride
CID 173414886

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[2-[carboxymethyl-[2-[2-(2-hydroxypropoxy)propoxy]-2-oxoethyl]amino]ethyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[2-[carboxymethyl-[2-[2-(2-hydroxypropoxy)propoxy]-2-oxoethyl]amino]ethyl]amino]acetic acid (CID 87901439) is 2-[carboxymethyl-[2-[carboxymethyl-[2-[2-(2-hydroxypropoxy)propoxy]-2-oxoethyl]amino]ethyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[2-[carboxymethyl-[2-[2-(2-hydroxypropoxy)propoxy]-2-oxoethyl]amino]ethyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[2-[carboxymethyl-[2-[2-(2-hydroxypropoxy)propoxy]-2-oxoethyl]amino]ethyl]amino]acetic acid is CC(O)COC(C)COC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl-[2-[carboxymethyl-[2-[2-(2-hydroxypropoxy)propoxy]-2-oxoethyl]amino]ethyl]amino]acetic acid?
The InChIKey is KXMOGBCPGLSMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O10/c1-11(19)9-27-12(2)10-28-16(26)8-18(7-15(24)25)4-3-17(5-13(20)21)6-14(22)23/h11-12,19H,3-10H2,1-2H3,(H,20,21)(H,22,23)(H,24,25).
What are the key properties of 2-[carboxymethyl-[2-[carboxymethyl-[2-[2-(2-hydroxypropoxy)propoxy]-2-oxoethyl]amino]ethyl]amino]acetic acid?
2-[carboxymethyl-[2-[carboxymethyl-[2-[2-(2-hydroxypropoxy)propoxy]-2-oxoethyl]amino]ethyl]amino]acetic acid has a molecular weight of 408.40 g/mol, XLogP of -1.83, 16 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[2-[carboxymethyl-[2-[2-(2-hydroxypropoxy)propoxy]-2-oxoethyl]amino]ethyl]amino]acetic acid is sourced from PubChem (CID 87901439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).