2-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetic acid

C12H21NO3 — CID 102899122

IUPAC2-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetic acid
SMILESCN(CC(=O)O)CC1CCC2(CCCC2)O1
InChIInChI=1S/C12H21NO3/c1-13(9-11(14)15)8-10-4-7-12(16-10)5-2-3-6-12/h10H,2-9H2,1H3,(H,14,15)
InChIKeyXYCDDNSGRZNFLS-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.49
Rot. Bonds4

About 2-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetic acid

2-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetic acid (PubChem CID 102899122) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetic acid
PubChem CID102899122
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetic acid
SMILESCN(CC(=O)O)CC1CCC2(CCCC2)O1
InChIInChI=1S/C12H21NO3/c1-13(9-11(14)15)8-10-4-7-12(16-10)5-2-3-6-12/h10H,2-9H2,1H3,(H,14,15)
InChIKeyXYCDDNSGRZNFLS-UHFFFAOYSA-N
XLogP1.49
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-Oxaspiro[4.4]nonan-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 102899243
2-[1-Oxaspiro[4.5]decan-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 102899244
Methyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propyl)amino]acetate
CID 102848064
Ethyl 2-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetate
CID 102848068
Ethyl 2-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetate
CID 102848072
Ethyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propan-2-yl)amino]acetate
CID 102848074
Methyl 2-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetate
CID 102848086
Methyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propan-2-yl)amino]acetate
CID 102848123
Methyl 2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)acetate
CID 102896558
Ethyl 2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)acetate
CID 102896878
1-(1-Oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 102899120
2-[Methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetic acid
CID 102899123

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetic acid?
The IUPAC name of 2-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetic acid (CID 102899122) is 2-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetic acid?
The canonical SMILES for 2-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetic acid is CN(CC(=O)O)CC1CCC2(CCCC2)O1.
What is the InChIKey of 2-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetic acid?
The InChIKey is XYCDDNSGRZNFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-13(9-11(14)15)8-10-4-7-12(16-10)5-2-3-6-12/h10H,2-9H2,1H3,(H,14,15).
What are the key properties of 2-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetic acid?
2-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetic acid has a molecular weight of 227.30 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetic acid is sourced from PubChem (CID 102899122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).