2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)acetic acid

C11H19NO3 — CID 102899124

IUPAC2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)acetic acid
SMILESO=C(O)CNCC1CCC2(CCCC2)O1
InChIInChI=1S/C11H19NO3/c13-10(14)8-12-7-9-3-6-11(15-9)4-1-2-5-11/h9,12H,1-8H2,(H,13,14)
InChIKeyLFVHNSJGSZTKMM-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.15
Rot. Bonds4

About 2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)acetic acid

2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)acetic acid (PubChem CID 102899124) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)acetic acid.

Molecular Properties

Compound Name2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)acetic acid
PubChem CID102899124
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)acetic acid
SMILESO=C(O)CNCC1CCC2(CCCC2)O1
InChIInChI=1S/C11H19NO3/c13-10(14)8-12-7-9-3-6-11(15-9)4-1-2-5-11/h9,12H,1-8H2,(H,13,14)
InChIKeyLFVHNSJGSZTKMM-UHFFFAOYSA-N
XLogP1.15
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)acetic acid?
The IUPAC name of 2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)acetic acid (CID 102899124) is 2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)acetic acid.
What is the SMILES notation for 2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)acetic acid?
The canonical SMILES for 2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)acetic acid is O=C(O)CNCC1CCC2(CCCC2)O1.
What is the InChIKey of 2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)acetic acid?
The InChIKey is LFVHNSJGSZTKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c13-10(14)8-12-7-9-3-6-11(15-9)4-1-2-5-11/h9,12H,1-8H2,(H,13,14).
What are the key properties of 2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)acetic acid?
2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)acetic acid has a molecular weight of 213.28 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)acetic acid is sourced from PubChem (CID 102899124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).