2-(1,3-diacetamidopropan-2-yloxy)acetic acid

C9H16N2O5 — CID 20588168

IUPAC2-(1,3-diacetamidopropan-2-yloxy)acetic acid
SMILESCC(=O)NCC(CNC(C)=O)OCC(=O)O
InChIInChI=1S/C9H16N2O5/c1-6(12)10-3-8(4-11-7(2)13)16-5-9(14)15/h8H,3-5H2,1-2H3,(H,10,12)(H,11,13)(H,14,15)
InChIKeyCOIFWLXVPHRIRX-UHFFFAOYSA-N
MW232.24 g/mol
LogP-1.27
Rot. Bonds7

About 2-(1,3-diacetamidopropan-2-yloxy)acetic acid

2-(1,3-diacetamidopropan-2-yloxy)acetic acid (PubChem CID 20588168) has the molecular formula C9H16N2O5 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-(1,3-diacetamidopropan-2-yloxy)acetic acid.

Molecular Properties

Compound Name2-(1,3-diacetamidopropan-2-yloxy)acetic acid
PubChem CID20588168
Molecular FormulaC9H16N2O5
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Name2-(1,3-diacetamidopropan-2-yloxy)acetic acid
SMILESCC(=O)NCC(CNC(C)=O)OCC(=O)O
InChIInChI=1S/C9H16N2O5/c1-6(12)10-3-8(4-11-7(2)13)16-5-9(14)15/h8H,3-5H2,1-2H3,(H,10,12)(H,11,13)(H,14,15)
InChIKeyCOIFWLXVPHRIRX-UHFFFAOYSA-N
XLogP-1.27
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-1.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-diacetamidopropan-2-yloxy)acetic acid?
The IUPAC name of 2-(1,3-diacetamidopropan-2-yloxy)acetic acid (CID 20588168) is 2-(1,3-diacetamidopropan-2-yloxy)acetic acid.
What is the SMILES notation for 2-(1,3-diacetamidopropan-2-yloxy)acetic acid?
The canonical SMILES for 2-(1,3-diacetamidopropan-2-yloxy)acetic acid is CC(=O)NCC(CNC(C)=O)OCC(=O)O.
What is the InChIKey of 2-(1,3-diacetamidopropan-2-yloxy)acetic acid?
The InChIKey is COIFWLXVPHRIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O5/c1-6(12)10-3-8(4-11-7(2)13)16-5-9(14)15/h8H,3-5H2,1-2H3,(H,10,12)(H,11,13)(H,14,15).
What are the key properties of 2-(1,3-diacetamidopropan-2-yloxy)acetic acid?
2-(1,3-diacetamidopropan-2-yloxy)acetic acid has a molecular weight of 232.24 g/mol, XLogP of -1.27, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-diacetamidopropan-2-yloxy)acetic acid is sourced from PubChem (CID 20588168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).