2-[(2-ethyl-2-methyloxan-4-yl)-methylamino]acetic acid

C11H21NO3 — CID 65056226

IUPAC2-[(2-ethyl-2-methyloxan-4-yl)-methylamino]acetic acid
SMILESCCC1(C)CC(N(C)CC(=O)O)CCO1
InChIInChI=1S/C11H21NO3/c1-4-11(2)7-9(5-6-15-11)12(3)8-10(13)14/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyYEXXSNZGNMDDBE-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.35
Rot. Bonds4

About 2-[(2-ethyl-2-methyloxan-4-yl)-methylamino]acetic acid

2-[(2-ethyl-2-methyloxan-4-yl)-methylamino]acetic acid (PubChem CID 65056226) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-[(2-ethyl-2-methyloxan-4-yl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-ethyl-2-methyloxan-4-yl)-methylamino]acetic acid
PubChem CID65056226
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-[(2-ethyl-2-methyloxan-4-yl)-methylamino]acetic acid
SMILESCCC1(C)CC(N(C)CC(=O)O)CCO1
InChIInChI=1S/C11H21NO3/c1-4-11(2)7-9(5-6-15-11)12(3)8-10(13)14/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyYEXXSNZGNMDDBE-UHFFFAOYSA-N
XLogP1.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2-ethyl-2-methyloxan-4-yl)-methylamino]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-[(2-Propan-2-yloxan-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266267
2-[(2,2-Dimethyloxan-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266437
2-[(2-Ethyl-2-methyloxan-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266719
2-[5-Oxaspiro[3.5]nonan-8-yl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79899088
2-[1-Oxaspiro[5.5]undecan-4-yl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79902480
2-[6-Oxaspiro[4.5]decan-9-yl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79902935
Tert-butyl 2-[2-(2-hydroxyethyl)piperidin-1-yl]acetate
CID 60346232
2-[(2,6-Dimethyloxan-4-yl)-methylamino]acetic acid;ethane
CID 145062068
2-[(2-Ethyl-2-methyloxan-4-yl)amino]acetic acid
CID 64100398
Methyl 2-[(2-ethyl-2-methyloxan-4-yl)amino]propanoate
CID 64100839
2-[(2-Ethyl-2-methyloxan-4-yl)amino]propanoic acid
CID 64101043
Ethyl 2-[(2-ethyl-2-methyloxan-4-yl)amino]propanoate
CID 64101444

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-2-methyloxan-4-yl)-methylamino]acetic acid?
The IUPAC name of 2-[(2-ethyl-2-methyloxan-4-yl)-methylamino]acetic acid (CID 65056226) is 2-[(2-ethyl-2-methyloxan-4-yl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(2-ethyl-2-methyloxan-4-yl)-methylamino]acetic acid?
The canonical SMILES for 2-[(2-ethyl-2-methyloxan-4-yl)-methylamino]acetic acid is CCC1(C)CC(N(C)CC(=O)O)CCO1.
What is the InChIKey of 2-[(2-ethyl-2-methyloxan-4-yl)-methylamino]acetic acid?
The InChIKey is YEXXSNZGNMDDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-4-11(2)7-9(5-6-15-11)12(3)8-10(13)14/h9H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 2-[(2-ethyl-2-methyloxan-4-yl)-methylamino]acetic acid?
2-[(2-ethyl-2-methyloxan-4-yl)-methylamino]acetic acid has a molecular weight of 215.29 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-2-methyloxan-4-yl)-methylamino]acetic acid is sourced from PubChem (CID 65056226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).