(oxetan-3-ylmethylamino)methyl acetate

C7H13NO3 — CID 174855463

IUPAC(oxetan-3-ylmethylamino)methyl acetate
SMILESCC(=O)OCNCC1COC1
InChIInChI=1S/C7H13NO3/c1-6(9)11-5-8-2-7-3-10-4-7/h7-8H,2-5H2,1H3
InChIKeyFMLNCINUZHACSF-UHFFFAOYSA-N
MW159.18 g/mol
LogP-0.26
Rot. Bonds4

About (oxetan-3-ylmethylamino)methyl acetate

(oxetan-3-ylmethylamino)methyl acetate (PubChem CID 174855463) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is (oxetan-3-ylmethylamino)methyl acetate.

Molecular Properties

Compound Name(oxetan-3-ylmethylamino)methyl acetate
PubChem CID174855463
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name(oxetan-3-ylmethylamino)methyl acetate
SMILESCC(=O)OCNCC1COC1
InChIInChI=1S/C7H13NO3/c1-6(9)11-5-8-2-7-3-10-4-7/h7-8H,2-5H2,1H3
InChIKeyFMLNCINUZHACSF-UHFFFAOYSA-N
XLogP-0.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(acetyloxymethylamino)ethyl acetate
CID 87473445
N-ethoxy-2-(oxetan-3-yl)acetamide
CID 131222947
N-(1,3-dioxan-5-ylmethyl)acetamide
CID 67192063
[acetyloxy-ethyl-(oxetan-3-ylmethyl)silyl] acetate
CID 141199982
1-(cyclobutylmethylamino)propan-2-one
CID 115234815
cyclopropylmethyl acetate
CID 538333
methyl 2-bromo-3-(oxolan-3-ylmethylamino)propanoate
CID 103242537
benzyl N-(oxetan-3-ylmethyl)carbamate
CID 155920910
2-(oxolan-3-ylmethylamino)acetamide
CID 16770928
[(3R,6R)-3-[(2-cyclopropylacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]methyl acetate
CID 91297093
4-(cyclobutylmethylamino)butan-2-one
CID 115235753
methyl 2-bromo-3-(oxan-3-ylmethylamino)propanoate
CID 103242246

Frequently Asked Questions

What is the IUPAC name of (oxetan-3-ylmethylamino)methyl acetate?
The IUPAC name of (oxetan-3-ylmethylamino)methyl acetate (CID 174855463) is (oxetan-3-ylmethylamino)methyl acetate.
What is the SMILES notation for (oxetan-3-ylmethylamino)methyl acetate?
The canonical SMILES for (oxetan-3-ylmethylamino)methyl acetate is CC(=O)OCNCC1COC1.
What is the InChIKey of (oxetan-3-ylmethylamino)methyl acetate?
The InChIKey is FMLNCINUZHACSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-6(9)11-5-8-2-7-3-10-4-7/h7-8H,2-5H2,1H3.
What are the key properties of (oxetan-3-ylmethylamino)methyl acetate?
(oxetan-3-ylmethylamino)methyl acetate has a molecular weight of 159.18 g/mol, XLogP of -0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (oxetan-3-ylmethylamino)methyl acetate is sourced from PubChem (CID 174855463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).