2-(methylamino)-2-[3-(oxan-4-yl)oxetan-3-yl]acetic acid

C11H19NO4 — CID 116875690

IUPAC2-(methylamino)-2-[3-(oxan-4-yl)oxetan-3-yl]acetic acid
SMILESCNC(C(=O)O)C1(C2CCOCC2)COC1
InChIInChI=1S/C11H19NO4/c1-12-9(10(13)14)11(6-16-7-11)8-2-4-15-5-3-8/h8-9,12H,2-7H2,1H3,(H,13,14)
InChIKeyCTNCNOONFHRMAX-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.10
Rot. Bonds4

About 2-(methylamino)-2-[3-(oxan-4-yl)oxetan-3-yl]acetic acid

2-(methylamino)-2-[3-(oxan-4-yl)oxetan-3-yl]acetic acid (PubChem CID 116875690) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(methylamino)-2-[3-(oxan-4-yl)oxetan-3-yl]acetic acid.

Molecular Properties

Compound Name2-(methylamino)-2-[3-(oxan-4-yl)oxetan-3-yl]acetic acid
PubChem CID116875690
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name2-(methylamino)-2-[3-(oxan-4-yl)oxetan-3-yl]acetic acid
SMILESCNC(C(=O)O)C1(C2CCOCC2)COC1
InChIInChI=1S/C11H19NO4/c1-12-9(10(13)14)11(6-16-7-11)8-2-4-15-5-3-8/h8-9,12H,2-7H2,1H3,(H,13,14)
InChIKeyCTNCNOONFHRMAX-UHFFFAOYSA-N
XLogP0.10
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(oxan-4-yl)oxetan-3-yl]butanoic acid
CID 116875224
3-[methylamino(oxan-4-yl)methyl]oxetane-3-carboxylic acid
CID 116959388
1-[methylamino(oxan-4-yl)methyl]cyclopropane-1-carboxylic acid
CID 116958211
2-amino-3-(methylamino)-3-(oxan-4-yl)propanoic acid
CID 116957433
3-[cyclopentyl(methylamino)methyl]oxetane-3-carboxylic acid
CID 116959386
N-methyl-2-[3-(oxan-4-yl)oxetan-3-yl]propan-2-amine
CID 116872309
(E)-4-(methylamino)-4-(oxan-4-yl)but-2-enoic acid
CID 116956389
3-(oxan-4-yl)oxetane-3-thiol
CID 116872935
2-(methylamino)-2-[3-(1H-pyrrol-2-yl)oxetan-3-yl]acetic acid
CID 116875677
2-[3-(oxan-4-yl)oxetan-3-yl]cyclopropane-1-carboxylic acid
CID 116872221
2-(methylamino)-4-(oxan-4-yloxy)butanoic acid
CID 63040373
3-[methylamino-(1-methylpiperidin-4-yl)methyl]oxetane-3-carboxylic acid
CID 116959390

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-2-[3-(oxan-4-yl)oxetan-3-yl]acetic acid?
The IUPAC name of 2-(methylamino)-2-[3-(oxan-4-yl)oxetan-3-yl]acetic acid (CID 116875690) is 2-(methylamino)-2-[3-(oxan-4-yl)oxetan-3-yl]acetic acid.
What is the SMILES notation for 2-(methylamino)-2-[3-(oxan-4-yl)oxetan-3-yl]acetic acid?
The canonical SMILES for 2-(methylamino)-2-[3-(oxan-4-yl)oxetan-3-yl]acetic acid is CNC(C(=O)O)C1(C2CCOCC2)COC1.
What is the InChIKey of 2-(methylamino)-2-[3-(oxan-4-yl)oxetan-3-yl]acetic acid?
The InChIKey is CTNCNOONFHRMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-12-9(10(13)14)11(6-16-7-11)8-2-4-15-5-3-8/h8-9,12H,2-7H2,1H3,(H,13,14).
What are the key properties of 2-(methylamino)-2-[3-(oxan-4-yl)oxetan-3-yl]acetic acid?
2-(methylamino)-2-[3-(oxan-4-yl)oxetan-3-yl]acetic acid has a molecular weight of 229.28 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-2-[3-(oxan-4-yl)oxetan-3-yl]acetic acid is sourced from PubChem (CID 116875690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).