2-[[2-[3-(3-methylbutoxy)phenoxy]acetyl]amino]acetic acid

C15H21NO5 — CID 767783

IUPAC2-[[2-[3-(3-methylbutoxy)phenoxy]acetyl]amino]acetic acid
SMILESCC(C)CCOc1cccc(OCC(=O)NCC(=O)O)c1
InChIInChI=1S/C15H21NO5/c1-11(2)6-7-20-12-4-3-5-13(8-12)21-10-14(17)16-9-15(18)19/h3-5,8,11H,6-7,9-10H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyDLLHRZWCNDPCBC-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.69
Rot. Bonds9

About 2-[[2-[3-(3-methylbutoxy)phenoxy]acetyl]amino]acetic acid

2-[[2-[3-(3-methylbutoxy)phenoxy]acetyl]amino]acetic acid (PubChem CID 767783) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[[2-[3-(3-methylbutoxy)phenoxy]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[3-(3-methylbutoxy)phenoxy]acetyl]amino]acetic acid
PubChem CID767783
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Name2-[[2-[3-(3-methylbutoxy)phenoxy]acetyl]amino]acetic acid
SMILESCC(C)CCOc1cccc(OCC(=O)NCC(=O)O)c1
InChIInChI=1S/C15H21NO5/c1-11(2)6-7-20-12-4-3-5-13(8-12)21-10-14(17)16-9-15(18)19/h3-5,8,11H,6-7,9-10H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyDLLHRZWCNDPCBC-UHFFFAOYSA-N
XLogP1.69
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[3-(3-methylbutoxy)phenoxy]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[3-(3-methylbutoxy)phenoxy]acetyl]amino]acetic acid (CID 767783) is 2-[[2-[3-(3-methylbutoxy)phenoxy]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[3-(3-methylbutoxy)phenoxy]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[3-(3-methylbutoxy)phenoxy]acetyl]amino]acetic acid is CC(C)CCOc1cccc(OCC(=O)NCC(=O)O)c1.
What is the InChIKey of 2-[[2-[3-(3-methylbutoxy)phenoxy]acetyl]amino]acetic acid?
The InChIKey is DLLHRZWCNDPCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-11(2)6-7-20-12-4-3-5-13(8-12)21-10-14(17)16-9-15(18)19/h3-5,8,11H,6-7,9-10H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[[2-[3-(3-methylbutoxy)phenoxy]acetyl]amino]acetic acid?
2-[[2-[3-(3-methylbutoxy)phenoxy]acetyl]amino]acetic acid has a molecular weight of 295.34 g/mol, XLogP of 1.69, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[3-(3-methylbutoxy)phenoxy]acetyl]amino]acetic acid is sourced from PubChem (CID 767783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).