2-[methyl(oxolan-2-ylmethyl)amino]acetic acid

C8H15NO3 — CID 43442255

IUPAC2-[methyl(oxolan-2-ylmethyl)amino]acetic acid
SMILESCN(CC(=O)O)CC1CCCO1
InChIInChI=1S/C8H15NO3/c1-9(6-8(10)11)5-7-3-2-4-12-7/h7H,2-6H2,1H3,(H,10,11)
InChIKeyKYHSPUXZUBWMSB-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.18
Rot. Bonds4

About 2-[methyl(oxolan-2-ylmethyl)amino]acetic acid

2-[methyl(oxolan-2-ylmethyl)amino]acetic acid (PubChem CID 43442255) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-[methyl(oxolan-2-ylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl(oxolan-2-ylmethyl)amino]acetic acid
PubChem CID43442255
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name2-[methyl(oxolan-2-ylmethyl)amino]acetic acid
SMILESCN(CC(=O)O)CC1CCCO1
InChIInChI=1S/C8H15NO3/c1-9(6-8(10)11)5-7-3-2-4-12-7/h7H,2-6H2,1H3,(H,10,11)
InChIKeyKYHSPUXZUBWMSB-UHFFFAOYSA-N
XLogP0.18
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[methyl(oxolan-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-(((Tert-butoxy)carbonyl)((oxolan-2-yl)methyl)amino)acetic acid
CID 54595685
2-[Carboxymethyl(oxolan-2-ylmethyl)amino]acetic acid
CID 11042173
2-(((Tetrahydrofuran-2-yl)methyl)amino)acetic acid
CID 43114896
2-{Methyl[2,2,2-trifluoro-1-(oxolan-2-yl)ethyl]amino}acetic acid
CID 54594389
2-[Oxolan-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258603
2-[(5-Methyloxolan-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 82839748
2-[methyl-[(1S)-2,2,2-trifluoro-1-[(2S)-oxolan-2-yl]ethyl]amino]acetic acid
CID 95240729
2-[methyl-[(1R)-2,2,2-trifluoro-1-[(2S)-oxolan-2-yl]ethyl]amino]acetic acid
CID 95240730
2-[methyl-[(1R)-2,2,2-trifluoro-1-[(2R)-oxolan-2-yl]ethyl]amino]acetic acid
CID 124710060
2-[methyl-[(1S)-2,2,2-trifluoro-1-[(2R)-oxolan-2-yl]ethyl]amino]acetic acid
CID 124710061
Methyl 3-[methyl(oxolan-2-ylmethyl)amino]propanoate
CID 51086819
Methyl ((tetrahydrofuran-2-yl)methyl)glycinate
CID 43180167

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(oxolan-2-ylmethyl)amino]acetic acid?
The IUPAC name of 2-[methyl(oxolan-2-ylmethyl)amino]acetic acid (CID 43442255) is 2-[methyl(oxolan-2-ylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl(oxolan-2-ylmethyl)amino]acetic acid?
The canonical SMILES for 2-[methyl(oxolan-2-ylmethyl)amino]acetic acid is CN(CC(=O)O)CC1CCCO1.
What is the InChIKey of 2-[methyl(oxolan-2-ylmethyl)amino]acetic acid?
The InChIKey is KYHSPUXZUBWMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-9(6-8(10)11)5-7-3-2-4-12-7/h7H,2-6H2,1H3,(H,10,11).
What are the key properties of 2-[methyl(oxolan-2-ylmethyl)amino]acetic acid?
2-[methyl(oxolan-2-ylmethyl)amino]acetic acid has a molecular weight of 173.21 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(oxolan-2-ylmethyl)amino]acetic acid is sourced from PubChem (CID 43442255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).