3-amino-4-methoxypentan-2-one

C6H13NO2 — CID 58914399

IUPAC3-amino-4-methoxypentan-2-one
SMILESCOC(C)C(N)C(C)=O
InChIInChI=1S/C6H13NO2/c1-4(8)6(7)5(2)9-3/h5-6H,7H2,1-3H3
InChIKeyJWAJGHULCQUWGD-UHFFFAOYSA-N
MW131.17 g/mol
LogP-0.06
Rot. Bonds3

About 3-amino-4-methoxypentan-2-one

3-amino-4-methoxypentan-2-one (PubChem CID 58914399) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is 3-amino-4-methoxypentan-2-one.

Molecular Properties

Compound Name3-amino-4-methoxypentan-2-one
PubChem CID58914399
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name3-amino-4-methoxypentan-2-one
SMILESCOC(C)C(N)C(C)=O
InChIInChI=1S/C6H13NO2/c1-4(8)6(7)5(2)9-3/h5-6H,7H2,1-3H3
InChIKeyJWAJGHULCQUWGD-UHFFFAOYSA-N
XLogP-0.06
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxypentan-2-one?
The IUPAC name of 3-amino-4-methoxypentan-2-one (CID 58914399) is 3-amino-4-methoxypentan-2-one.
What is the SMILES notation for 3-amino-4-methoxypentan-2-one?
The canonical SMILES for 3-amino-4-methoxypentan-2-one is COC(C)C(N)C(C)=O.
What is the InChIKey of 3-amino-4-methoxypentan-2-one?
The InChIKey is JWAJGHULCQUWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-4(8)6(7)5(2)9-3/h5-6H,7H2,1-3H3.
What are the key properties of 3-amino-4-methoxypentan-2-one?
3-amino-4-methoxypentan-2-one has a molecular weight of 131.17 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxypentan-2-one is sourced from PubChem (CID 58914399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).