2-[[2-[5,6-diacetyloxyhexyl(methyl)amino]-2-oxoethyl]amino]acetic acid

C15H26N2O7 — CID 142248367

IUPAC2-[[2-[5,6-diacetyloxyhexyl(methyl)amino]-2-oxoethyl]amino]acetic acid
SMILESCC(=O)OCC(CCCCN(C)C(=O)CNCC(=O)O)OC(C)=O
InChIInChI=1S/C15H26N2O7/c1-11(18)23-10-13(24-12(2)19)6-4-5-7-17(3)14(20)8-16-9-15(21)22/h13,16H,4-10H2,1-3H3,(H,21,22)
InChIKeyOXCKSBWTBJEAPV-UHFFFAOYSA-N
MW346.38 g/mol
LogP-0.22
Rot. Bonds12

About 2-[[2-[5,6-diacetyloxyhexyl(methyl)amino]-2-oxoethyl]amino]acetic acid

2-[[2-[5,6-diacetyloxyhexyl(methyl)amino]-2-oxoethyl]amino]acetic acid (PubChem CID 142248367) has the molecular formula C15H26N2O7 and a molecular weight of 346.38 g/mol. Its IUPAC name is 2-[[2-[5,6-diacetyloxyhexyl(methyl)amino]-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[5,6-diacetyloxyhexyl(methyl)amino]-2-oxoethyl]amino]acetic acid
PubChem CID142248367
Molecular FormulaC15H26N2O7
Molecular Weight346.38 g/mol
Exact Mass346.17
IUPAC Name2-[[2-[5,6-diacetyloxyhexyl(methyl)amino]-2-oxoethyl]amino]acetic acid
SMILESCC(=O)OCC(CCCCN(C)C(=O)CNCC(=O)O)OC(C)=O
InChIInChI=1S/C15H26N2O7/c1-11(18)23-10-13(24-12(2)19)6-4-5-7-17(3)14(20)8-16-9-15(21)22/h13,16H,4-10H2,1-3H3,(H,21,22)
InChIKeyOXCKSBWTBJEAPV-UHFFFAOYSA-N
XLogP-0.22
TPSA122.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[5,6-diacetyloxyhexyl(methyl)amino]-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[[2-[5,6-diacetyloxyhexyl(methyl)amino]-2-oxoethyl]amino]acetic acid (CID 142248367) is 2-[[2-[5,6-diacetyloxyhexyl(methyl)amino]-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[5,6-diacetyloxyhexyl(methyl)amino]-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[5,6-diacetyloxyhexyl(methyl)amino]-2-oxoethyl]amino]acetic acid is CC(=O)OCC(CCCCN(C)C(=O)CNCC(=O)O)OC(C)=O.
What is the InChIKey of 2-[[2-[5,6-diacetyloxyhexyl(methyl)amino]-2-oxoethyl]amino]acetic acid?
The InChIKey is OXCKSBWTBJEAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O7/c1-11(18)23-10-13(24-12(2)19)6-4-5-7-17(3)14(20)8-16-9-15(21)22/h13,16H,4-10H2,1-3H3,(H,21,22).
What are the key properties of 2-[[2-[5,6-diacetyloxyhexyl(methyl)amino]-2-oxoethyl]amino]acetic acid?
2-[[2-[5,6-diacetyloxyhexyl(methyl)amino]-2-oxoethyl]amino]acetic acid has a molecular weight of 346.38 g/mol, XLogP of -0.22, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[5,6-diacetyloxyhexyl(methyl)amino]-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 142248367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).