2-[2-(3,5-dimethyl-4-oxo-1,3,5-triazinan-1-yl)ethoxy]acetic acid

C9H17N3O4 — CID 142694259

IUPAC2-[2-(3,5-dimethyl-4-oxo-1,3,5-triazinan-1-yl)ethoxy]acetic acid
SMILESCN1CN(CCOCC(=O)O)CN(C)C1=O
InChIInChI=1S/C9H17N3O4/c1-10-6-12(7-11(2)9(10)15)3-4-16-5-8(13)14/h3-7H2,1-2H3,(H,13,14)
InChIKeyGAHOYCFKVFAKGK-UHFFFAOYSA-N
MW231.25 g/mol
LogP-0.70
Rot. Bonds5

About 2-[2-(3,5-dimethyl-4-oxo-1,3,5-triazinan-1-yl)ethoxy]acetic acid

2-[2-(3,5-dimethyl-4-oxo-1,3,5-triazinan-1-yl)ethoxy]acetic acid (PubChem CID 142694259) has the molecular formula C9H17N3O4 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-[2-(3,5-dimethyl-4-oxo-1,3,5-triazinan-1-yl)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(3,5-dimethyl-4-oxo-1,3,5-triazinan-1-yl)ethoxy]acetic acid
PubChem CID142694259
Molecular FormulaC9H17N3O4
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Name2-[2-(3,5-dimethyl-4-oxo-1,3,5-triazinan-1-yl)ethoxy]acetic acid
SMILESCN1CN(CCOCC(=O)O)CN(C)C1=O
InChIInChI=1S/C9H17N3O4/c1-10-6-12(7-11(2)9(10)15)3-4-16-5-8(13)14/h3-7H2,1-2H3,(H,13,14)
InChIKeyGAHOYCFKVFAKGK-UHFFFAOYSA-N
XLogP-0.70
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethoxy]acetic acid
CID 176958923
2-[2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)ethoxy]acetic acid
CID 79456923
2-[2-(3-fluoropyrrolidin-1-yl)ethoxy]acetic acid
CID 167713960
2-[5-(4-methylpiperidin-1-yl)pentoxy]acetic acid
CID 163629544
2-(2-pyrrol-1-ylethoxy)acetic acid
CID 79457745
2-[2-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)ethoxy]acetic acid
CID 82009957
2-[2-[4-[bis(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid
CID 70143947
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 15118673
2-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethoxy]acetic acid
CID 79457188
2-[2-(1,2,4-triazol-4-yl)ethoxy]acetic acid
CID 79464066
2-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethoxy]acetic acid
CID 64683018
2-[2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)ethoxy]acetic acid
CID 79456834

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethyl-4-oxo-1,3,5-triazinan-1-yl)ethoxy]acetic acid?
The IUPAC name of 2-[2-(3,5-dimethyl-4-oxo-1,3,5-triazinan-1-yl)ethoxy]acetic acid (CID 142694259) is 2-[2-(3,5-dimethyl-4-oxo-1,3,5-triazinan-1-yl)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-(3,5-dimethyl-4-oxo-1,3,5-triazinan-1-yl)ethoxy]acetic acid?
The canonical SMILES for 2-[2-(3,5-dimethyl-4-oxo-1,3,5-triazinan-1-yl)ethoxy]acetic acid is CN1CN(CCOCC(=O)O)CN(C)C1=O.
What is the InChIKey of 2-[2-(3,5-dimethyl-4-oxo-1,3,5-triazinan-1-yl)ethoxy]acetic acid?
The InChIKey is GAHOYCFKVFAKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O4/c1-10-6-12(7-11(2)9(10)15)3-4-16-5-8(13)14/h3-7H2,1-2H3,(H,13,14).
What are the key properties of 2-[2-(3,5-dimethyl-4-oxo-1,3,5-triazinan-1-yl)ethoxy]acetic acid?
2-[2-(3,5-dimethyl-4-oxo-1,3,5-triazinan-1-yl)ethoxy]acetic acid has a molecular weight of 231.25 g/mol, XLogP of -0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethyl-4-oxo-1,3,5-triazinan-1-yl)ethoxy]acetic acid is sourced from PubChem (CID 142694259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).