1-(2-hydroxypropoxymethylamino)propan-2-one

C7H15NO3 — CID 142147203

IUPAC1-(2-hydroxypropoxymethylamino)propan-2-one
SMILESCC(=O)CNCOCC(C)O
InChIInChI=1S/C7H15NO3/c1-6(9)3-8-5-11-4-7(2)10/h7-8,10H,3-5H2,1-2H3
InChIKeyLUFGPBMSPVOFMC-UHFFFAOYSA-N
MW161.20 g/mol
LogP-0.48
Rot. Bonds6

About 1-(2-hydroxypropoxymethylamino)propan-2-one

1-(2-hydroxypropoxymethylamino)propan-2-one (PubChem CID 142147203) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 1-(2-hydroxypropoxymethylamino)propan-2-one.

Molecular Properties

Compound Name1-(2-hydroxypropoxymethylamino)propan-2-one
PubChem CID142147203
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name1-(2-hydroxypropoxymethylamino)propan-2-one
SMILESCC(=O)CNCOCC(C)O
InChIInChI=1S/C7H15NO3/c1-6(9)3-8-5-11-4-7(2)10/h7-8,10H,3-5H2,1-2H3
InChIKeyLUFGPBMSPVOFMC-UHFFFAOYSA-N
XLogP-0.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypropoxymethylamino)propan-2-one?
The IUPAC name of 1-(2-hydroxypropoxymethylamino)propan-2-one (CID 142147203) is 1-(2-hydroxypropoxymethylamino)propan-2-one.
What is the SMILES notation for 1-(2-hydroxypropoxymethylamino)propan-2-one?
The canonical SMILES for 1-(2-hydroxypropoxymethylamino)propan-2-one is CC(=O)CNCOCC(C)O.
What is the InChIKey of 1-(2-hydroxypropoxymethylamino)propan-2-one?
The InChIKey is LUFGPBMSPVOFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-6(9)3-8-5-11-4-7(2)10/h7-8,10H,3-5H2,1-2H3.
What are the key properties of 1-(2-hydroxypropoxymethylamino)propan-2-one?
1-(2-hydroxypropoxymethylamino)propan-2-one has a molecular weight of 161.20 g/mol, XLogP of -0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypropoxymethylamino)propan-2-one is sourced from PubChem (CID 142147203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).