aminomethyl acetate;hydrate

C3H9NO3 — CID 173252999

IUPACaminomethyl acetate;hydrate
SMILESCC(=O)OCN.O
InChIInChI=1S/C3H7NO2.H2O/c1-3(5)6-2-4;/h2,4H2,1H3;1H2
InChIKeyHHJBJALZOUFWGP-UHFFFAOYSA-N
MW107.11 g/mol
LogP-1.36
Rot. Bonds1

About aminomethyl acetate;hydrate

aminomethyl acetate;hydrate (PubChem CID 173252999) has the molecular formula C3H9NO3 and a molecular weight of 107.11 g/mol. Its IUPAC name is aminomethyl acetate;hydrate.

Molecular Properties

Compound Nameaminomethyl acetate;hydrate
PubChem CID173252999
Molecular FormulaC3H9NO3
Molecular Weight107.11 g/mol
Exact Mass107.06
IUPAC Nameaminomethyl acetate;hydrate
SMILESCC(=O)OCN.O
InChIInChI=1S/C3H7NO2.H2O/c1-3(5)6-2-4;/h2,4H2,1H3;1H2
InChIKeyHHJBJALZOUFWGP-UHFFFAOYSA-N
XLogP-1.36
TPSA83.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.11
LogP ≤ 5-1.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze aminomethyl acetate;hydrate 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

aminomethyl acetate;dihydrochloride
CID 175752598
ethyl acetate;octacontahydrate
CID 173077486
ethyl acetate;pentacontahydrate
CID 173010597
ethyl acetate;pentahydrate
CID 173286699
ethyl acetate;octacontahydrate
CID 173010859
ethyl acetate;heptahydrate
CID 173010679
ethyl acetate;tetrahydrate
CID 173019761
ethyl acetate;nickel;pentahydrate
CID 175168185
ethyl acetate;methanol;hydrate
CID 87229017
acetyloxymethyl acetate;azane
CID 172795061
ethanol;ethyl acetate;hydrate
CID 86601158
lithium;ethyl acetate;hydroxide;hydrate
CID 174848728

Frequently Asked Questions

What is the IUPAC name of aminomethyl acetate;hydrate?
The IUPAC name of aminomethyl acetate;hydrate (CID 173252999) is aminomethyl acetate;hydrate.
What is the SMILES notation for aminomethyl acetate;hydrate?
The canonical SMILES for aminomethyl acetate;hydrate is CC(=O)OCN.O.
What is the InChIKey of aminomethyl acetate;hydrate?
The InChIKey is HHJBJALZOUFWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO2.H2O/c1-3(5)6-2-4;/h2,4H2,1H3;1H2.
What are the key properties of aminomethyl acetate;hydrate?
aminomethyl acetate;hydrate has a molecular weight of 107.11 g/mol, XLogP of -1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aminomethyl acetate;hydrate is sourced from PubChem (CID 173252999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).