2-[methyl(5-oxaspiro[3.5]nonan-8-yl)amino]acetic acid

C11H19NO3 — CID 79894267

IUPAC2-[methyl(5-oxaspiro[3.5]nonan-8-yl)amino]acetic acid
SMILESCN(CC(=O)O)C1CCOC2(CCC2)C1
InChIInChI=1S/C11H19NO3/c1-12(8-10(13)14)9-3-6-15-11(7-9)4-2-5-11/h9H,2-8H2,1H3,(H,13,14)
InChIKeySSWQCHSHDBOUHT-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.10
Rot. Bonds3

About 2-[methyl(5-oxaspiro[3.5]nonan-8-yl)amino]acetic acid

2-[methyl(5-oxaspiro[3.5]nonan-8-yl)amino]acetic acid (PubChem CID 79894267) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[methyl(5-oxaspiro[3.5]nonan-8-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl(5-oxaspiro[3.5]nonan-8-yl)amino]acetic acid
PubChem CID79894267
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-[methyl(5-oxaspiro[3.5]nonan-8-yl)amino]acetic acid
SMILESCN(CC(=O)O)C1CCOC2(CCC2)C1
InChIInChI=1S/C11H19NO3/c1-12(8-10(13)14)9-3-6-15-11(7-9)4-2-5-11/h9H,2-8H2,1H3,(H,13,14)
InChIKeySSWQCHSHDBOUHT-UHFFFAOYSA-N
XLogP1.10
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[carboxymethyl(5-oxaspiro[3.5]nonan-8-yl)amino]acetic acid
CID 79893758
methyl 2-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]acetate
CID 79920105
2-[5-oxaspiro[3.5]nonan-8-yl(propyl)amino]acetic acid
CID 79894587
2-[carboxymethyl(1-oxaspiro[5.5]undecan-4-yl)amino]acetic acid
CID 79894522
2-[(2,2-dimethyloxan-4-yl)-methylamino]acetic acid
CID 65056592
2-[cyclopropyl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid
CID 79894047
2-[cyclopropylmethyl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid
CID 79894349
2-[butan-2-yl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid
CID 79894511
2-methyl-3-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]propanoic acid
CID 79894051
2-[(2-amino-2-oxoethyl)-(1-oxaspiro[5.5]undecan-4-yl)amino]acetic acid
CID 107440798
1-[[methyl(6-oxaspiro[4.5]decan-9-yl)amino]methyl]cyclopentan-1-ol
CID 114952577
3-[cyclopropyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanoic acid
CID 79894193

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(5-oxaspiro[3.5]nonan-8-yl)amino]acetic acid?
The IUPAC name of 2-[methyl(5-oxaspiro[3.5]nonan-8-yl)amino]acetic acid (CID 79894267) is 2-[methyl(5-oxaspiro[3.5]nonan-8-yl)amino]acetic acid.
What is the SMILES notation for 2-[methyl(5-oxaspiro[3.5]nonan-8-yl)amino]acetic acid?
The canonical SMILES for 2-[methyl(5-oxaspiro[3.5]nonan-8-yl)amino]acetic acid is CN(CC(=O)O)C1CCOC2(CCC2)C1.
What is the InChIKey of 2-[methyl(5-oxaspiro[3.5]nonan-8-yl)amino]acetic acid?
The InChIKey is SSWQCHSHDBOUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-12(8-10(13)14)9-3-6-15-11(7-9)4-2-5-11/h9H,2-8H2,1H3,(H,13,14).
What are the key properties of 2-[methyl(5-oxaspiro[3.5]nonan-8-yl)amino]acetic acid?
2-[methyl(5-oxaspiro[3.5]nonan-8-yl)amino]acetic acid has a molecular weight of 213.28 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(5-oxaspiro[3.5]nonan-8-yl)amino]acetic acid is sourced from PubChem (CID 79894267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).