1-[(2-hydroxy-3-methoxypropyl)amino]propan-2-one

C7H15NO3 — CID 122519720

IUPAC1-[(2-hydroxy-3-methoxypropyl)amino]propan-2-one
SMILESCOCC(O)CNCC(C)=O
InChIInChI=1S/C7H15NO3/c1-6(9)3-8-4-7(10)5-11-2/h7-8,10H,3-5H2,1-2H3
InChIKeyIAXNOHCAKWJDGJ-UHFFFAOYSA-N
MW161.20 g/mol
LogP-0.83
Rot. Bonds6

About 1-[(2-hydroxy-3-methoxypropyl)amino]propan-2-one

1-[(2-hydroxy-3-methoxypropyl)amino]propan-2-one (PubChem CID 122519720) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 1-[(2-hydroxy-3-methoxypropyl)amino]propan-2-one.

Molecular Properties

Compound Name1-[(2-hydroxy-3-methoxypropyl)amino]propan-2-one
PubChem CID122519720
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name1-[(2-hydroxy-3-methoxypropyl)amino]propan-2-one
SMILESCOCC(O)CNCC(C)=O
InChIInChI=1S/C7H15NO3/c1-6(9)3-8-4-7(10)5-11-2/h7-8,10H,3-5H2,1-2H3
InChIKeyIAXNOHCAKWJDGJ-UHFFFAOYSA-N
XLogP-0.83
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 ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxy-3-methoxypropyl)amino]propan-2-one?
The IUPAC name of 1-[(2-hydroxy-3-methoxypropyl)amino]propan-2-one (CID 122519720) is 1-[(2-hydroxy-3-methoxypropyl)amino]propan-2-one.
What is the SMILES notation for 1-[(2-hydroxy-3-methoxypropyl)amino]propan-2-one?
The canonical SMILES for 1-[(2-hydroxy-3-methoxypropyl)amino]propan-2-one is COCC(O)CNCC(C)=O.
What is the InChIKey of 1-[(2-hydroxy-3-methoxypropyl)amino]propan-2-one?
The InChIKey is IAXNOHCAKWJDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-6(9)3-8-4-7(10)5-11-2/h7-8,10H,3-5H2,1-2H3.
What are the key properties of 1-[(2-hydroxy-3-methoxypropyl)amino]propan-2-one?
1-[(2-hydroxy-3-methoxypropyl)amino]propan-2-one has a molecular weight of 161.20 g/mol, XLogP of -0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxy-3-methoxypropyl)amino]propan-2-one is sourced from PubChem (CID 122519720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).