2-[2-[6-[[2-(carboxymethoxy)acetyl]amino]hexylamino]-2-oxoethoxy]acetic acid

C14H24N2O8 — CID 88852782

IUPAC2-[2-[6-[[2-(carboxymethoxy)acetyl]amino]hexylamino]-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)NCCCCCCNC(=O)COCC(=O)O
InChIInChI=1S/C14H24N2O8/c17-11(7-23-9-13(19)20)15-5-3-1-2-4-6-16-12(18)8-24-10-14(21)22/h1-10H2,(H,15,17)(H,16,18)(H,19,20)(H,21,22)
InChIKeyGREOCYZPMKTHCA-UHFFFAOYSA-N
MW348.35 g/mol
LogP-1.02
Rot. Bonds15

About 2-[2-[6-[[2-(carboxymethoxy)acetyl]amino]hexylamino]-2-oxoethoxy]acetic acid

2-[2-[6-[[2-(carboxymethoxy)acetyl]amino]hexylamino]-2-oxoethoxy]acetic acid (PubChem CID 88852782) has the molecular formula C14H24N2O8 and a molecular weight of 348.35 g/mol. Its IUPAC name is 2-[2-[6-[[2-(carboxymethoxy)acetyl]amino]hexylamino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[6-[[2-(carboxymethoxy)acetyl]amino]hexylamino]-2-oxoethoxy]acetic acid
PubChem CID88852782
Molecular FormulaC14H24N2O8
Molecular Weight348.35 g/mol
Exact Mass348.15
IUPAC Name2-[2-[6-[[2-(carboxymethoxy)acetyl]amino]hexylamino]-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)NCCCCCCNC(=O)COCC(=O)O
InChIInChI=1S/C14H24N2O8/c17-11(7-23-9-13(19)20)15-5-3-1-2-4-6-16-12(18)8-24-10-14(21)22/h1-10H2,(H,15,17)(H,16,18)(H,19,20)(H,21,22)
InChIKeyGREOCYZPMKTHCA-UHFFFAOYSA-N
XLogP-1.02
TPSA151.26 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 5-1.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[3-(ethylamino)propylamino]-2-oxoethoxy]acetic acid
CID 61403571
2-[2-oxo-2-(4-propan-2-yloxybutylamino)ethoxy]acetic acid
CID 106003646
6-[(2-ethoxyacetyl)amino]hexanoic acid
CID 28777004
2-[2-oxo-2-[3-[2-[2-[3-(18-oxononadecanoylamino)propoxy]ethoxy]ethoxy]propylamino]ethoxy]acetic acid
CID 122413582
2-[2-[2-(2-amino-2-oxoethoxy)ethylamino]-2-oxoethoxy]acetic acid
CID 106234757
5-[[2-(2-hydroxyethoxy)acetyl]amino]pentanoic acid
CID 141090456
5-[[2-(2-aminoethoxy)acetyl]amino]pentanoic acid
CID 79479657
2-[2-[2-(azepan-1-yl)ethylamino]-2-oxoethoxy]acetic acid
CID 53211349
2-ethoxy-N-(6-iodohexyl)acetamide
CID 107848061
4-[6-(3-carboxypropanoylamino)hexylamino]-4-oxobutanoic acid
CID 3888239
5-[2-[2-[2-[2-[2-[2-(5-hydroxypentylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-5-oxopentanoic acid
CID 155280004
2-(carboxymethoxy)acetic acid;sulfane
CID 158807579

Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-[[2-(carboxymethoxy)acetyl]amino]hexylamino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[6-[[2-(carboxymethoxy)acetyl]amino]hexylamino]-2-oxoethoxy]acetic acid (CID 88852782) is 2-[2-[6-[[2-(carboxymethoxy)acetyl]amino]hexylamino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[6-[[2-(carboxymethoxy)acetyl]amino]hexylamino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[6-[[2-(carboxymethoxy)acetyl]amino]hexylamino]-2-oxoethoxy]acetic acid is O=C(O)COCC(=O)NCCCCCCNC(=O)COCC(=O)O.
What is the InChIKey of 2-[2-[6-[[2-(carboxymethoxy)acetyl]amino]hexylamino]-2-oxoethoxy]acetic acid?
The InChIKey is GREOCYZPMKTHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O8/c17-11(7-23-9-13(19)20)15-5-3-1-2-4-6-16-12(18)8-24-10-14(21)22/h1-10H2,(H,15,17)(H,16,18)(H,19,20)(H,21,22).
What are the key properties of 2-[2-[6-[[2-(carboxymethoxy)acetyl]amino]hexylamino]-2-oxoethoxy]acetic acid?
2-[2-[6-[[2-(carboxymethoxy)acetyl]amino]hexylamino]-2-oxoethoxy]acetic acid has a molecular weight of 348.35 g/mol, XLogP of -1.02, 15 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-[[2-(carboxymethoxy)acetyl]amino]hexylamino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 88852782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).