2-[[2-[(2-cyclooctyloxyacetyl)amino]acetyl]amino]acetic acid

C14H24N2O5 — CID 154992981

IUPAC2-[[2-[(2-cyclooctyloxyacetyl)amino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)COC1CCCCCCC1
InChIInChI=1S/C14H24N2O5/c17-12(16-9-14(19)20)8-15-13(18)10-21-11-6-4-2-1-3-5-7-11/h11H,1-10H2,(H,15,18)(H,16,17)(H,19,20)
InChIKeyMIWJYTQTWZREHS-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.43
Rot. Bonds7

About 2-[[2-[(2-cyclooctyloxyacetyl)amino]acetyl]amino]acetic acid

2-[[2-[(2-cyclooctyloxyacetyl)amino]acetyl]amino]acetic acid (PubChem CID 154992981) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[[2-[(2-cyclooctyloxyacetyl)amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(2-cyclooctyloxyacetyl)amino]acetyl]amino]acetic acid
PubChem CID154992981
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name2-[[2-[(2-cyclooctyloxyacetyl)amino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)COC1CCCCCCC1
InChIInChI=1S/C14H24N2O5/c17-12(16-9-14(19)20)8-15-13(18)10-21-11-6-4-2-1-3-5-7-11/h11H,1-10H2,(H,15,18)(H,16,17)(H,19,20)
InChIKeyMIWJYTQTWZREHS-UHFFFAOYSA-N
XLogP0.43
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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2-[[2-[(2-cyclopentylacetyl)amino]acetyl]amino]acetic acid
CID 60657329
2-[[2-(cyclopentylmethylcarbamoylamino)acetyl]amino]acetic acid
CID 61197830
2-cyclopentyloxyacetohydrazide
CID 60782273
2-cyclopentyloxy-N-[2-(methylamino)ethyl]acetamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-cyclooctyloxyacetyl)amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(2-cyclooctyloxyacetyl)amino]acetyl]amino]acetic acid (CID 154992981) is 2-[[2-[(2-cyclooctyloxyacetyl)amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(2-cyclooctyloxyacetyl)amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(2-cyclooctyloxyacetyl)amino]acetyl]amino]acetic acid is O=C(O)CNC(=O)CNC(=O)COC1CCCCCCC1.
What is the InChIKey of 2-[[2-[(2-cyclooctyloxyacetyl)amino]acetyl]amino]acetic acid?
The InChIKey is MIWJYTQTWZREHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c17-12(16-9-14(19)20)8-15-13(18)10-21-11-6-4-2-1-3-5-7-11/h11H,1-10H2,(H,15,18)(H,16,17)(H,19,20).
What are the key properties of 2-[[2-[(2-cyclooctyloxyacetyl)amino]acetyl]amino]acetic acid?
2-[[2-[(2-cyclooctyloxyacetyl)amino]acetyl]amino]acetic acid has a molecular weight of 300.36 g/mol, XLogP of 0.43, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-cyclooctyloxyacetyl)amino]acetyl]amino]acetic acid is sourced from PubChem (CID 154992981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).