2-[carboxymethyl(2,6-dioxaspiro[4.5]decan-9-yl)amino]acetic acid

C12H19NO6 — CID 79893684

IUPAC2-[carboxymethyl(2,6-dioxaspiro[4.5]decan-9-yl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C1CCOC2(CCOC2)C1
InChIInChI=1S/C12H19NO6/c14-10(15)6-13(7-11(16)17)9-1-3-19-12(5-9)2-4-18-8-12/h9H,1-8H2,(H,14,15)(H,16,17)
InChIKeyQMFICPIYOBBGQP-UHFFFAOYSA-N
MW273.28 g/mol
LogP-0.20
Rot. Bonds5

About 2-[carboxymethyl(2,6-dioxaspiro[4.5]decan-9-yl)amino]acetic acid

2-[carboxymethyl(2,6-dioxaspiro[4.5]decan-9-yl)amino]acetic acid (PubChem CID 79893684) has the molecular formula C12H19NO6 and a molecular weight of 273.28 g/mol. Its IUPAC name is 2-[carboxymethyl(2,6-dioxaspiro[4.5]decan-9-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(2,6-dioxaspiro[4.5]decan-9-yl)amino]acetic acid
PubChem CID79893684
Molecular FormulaC12H19NO6
Molecular Weight273.28 g/mol
Exact Mass273.12
IUPAC Name2-[carboxymethyl(2,6-dioxaspiro[4.5]decan-9-yl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C1CCOC2(CCOC2)C1
InChIInChI=1S/C12H19NO6/c14-10(15)6-13(7-11(16)17)9-1-3-19-12(5-9)2-4-18-8-12/h9H,1-8H2,(H,14,15)(H,16,17)
InChIKeyQMFICPIYOBBGQP-UHFFFAOYSA-N
XLogP-0.20
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(2,6-dioxaspiro[4.5]decan-9-yl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl(2,6-dioxaspiro[4.5]decan-9-yl)amino]acetic acid (CID 79893684) is 2-[carboxymethyl(2,6-dioxaspiro[4.5]decan-9-yl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl(2,6-dioxaspiro[4.5]decan-9-yl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl(2,6-dioxaspiro[4.5]decan-9-yl)amino]acetic acid is O=C(O)CN(CC(=O)O)C1CCOC2(CCOC2)C1.
What is the InChIKey of 2-[carboxymethyl(2,6-dioxaspiro[4.5]decan-9-yl)amino]acetic acid?
The InChIKey is QMFICPIYOBBGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO6/c14-10(15)6-13(7-11(16)17)9-1-3-19-12(5-9)2-4-18-8-12/h9H,1-8H2,(H,14,15)(H,16,17).
What are the key properties of 2-[carboxymethyl(2,6-dioxaspiro[4.5]decan-9-yl)amino]acetic acid?
2-[carboxymethyl(2,6-dioxaspiro[4.5]decan-9-yl)amino]acetic acid has a molecular weight of 273.28 g/mol, XLogP of -0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(2,6-dioxaspiro[4.5]decan-9-yl)amino]acetic acid is sourced from PubChem (CID 79893684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).