2-[cyclopropyl(1,4-dioxane-2-carbonyl)amino]acetic acid

C10H15NO5 — CID 60825516

IUPAC2-[cyclopropyl(1,4-dioxane-2-carbonyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)C1COCCO1)C1CC1
InChIInChI=1S/C10H15NO5/c12-9(13)5-11(7-1-2-7)10(14)8-6-15-3-4-16-8/h7-8H,1-6H2,(H,12,13)
InChIKeyLPVAJSFLYUDULD-UHFFFAOYSA-N
MW229.23 g/mol
LogP-0.52
Rot. Bonds4

About 2-[cyclopropyl(1,4-dioxane-2-carbonyl)amino]acetic acid

2-[cyclopropyl(1,4-dioxane-2-carbonyl)amino]acetic acid (PubChem CID 60825516) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is 2-[cyclopropyl(1,4-dioxane-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl(1,4-dioxane-2-carbonyl)amino]acetic acid
PubChem CID60825516
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name2-[cyclopropyl(1,4-dioxane-2-carbonyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)C1COCCO1)C1CC1
InChIInChI=1S/C10H15NO5/c12-9(13)5-11(7-1-2-7)10(14)8-6-15-3-4-16-8/h7-8H,1-6H2,(H,12,13)
InChIKeyLPVAJSFLYUDULD-UHFFFAOYSA-N
XLogP-0.52
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(1,4-dioxane-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl(1,4-dioxane-2-carbonyl)amino]acetic acid (CID 60825516) is 2-[cyclopropyl(1,4-dioxane-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl(1,4-dioxane-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl(1,4-dioxane-2-carbonyl)amino]acetic acid is O=C(O)CN(C(=O)C1COCCO1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(1,4-dioxane-2-carbonyl)amino]acetic acid?
The InChIKey is LPVAJSFLYUDULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5/c12-9(13)5-11(7-1-2-7)10(14)8-6-15-3-4-16-8/h7-8H,1-6H2,(H,12,13).
What are the key properties of 2-[cyclopropyl(1,4-dioxane-2-carbonyl)amino]acetic acid?
2-[cyclopropyl(1,4-dioxane-2-carbonyl)amino]acetic acid has a molecular weight of 229.23 g/mol, XLogP of -0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(1,4-dioxane-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 60825516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).