3-(aminomethyl)-4-methoxybutan-2-one

C6H13NO2 — CID 59279706

IUPAC3-(aminomethyl)-4-methoxybutan-2-one
SMILESCOCC(CN)C(C)=O
InChIInChI=1S/C6H13NO2/c1-5(8)6(3-7)4-9-2/h6H,3-4,7H2,1-2H3
InChIKeyBFLBPDFVOHSFSA-UHFFFAOYSA-N
MW131.18 g/mol
LogP-0.20
Rot. Bonds4

About 3-(aminomethyl)-4-methoxybutan-2-one

3-(aminomethyl)-4-methoxybutan-2-one (PubChem CID 59279706) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is 3-(aminomethyl)-4-methoxybutan-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-4-methoxybutan-2-one
PubChem CID59279706
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name3-(aminomethyl)-4-methoxybutan-2-one
SMILESCOCC(CN)C(C)=O
InChIInChI=1S/C6H13NO2/c1-5(8)6(3-7)4-9-2/h6H,3-4,7H2,1-2H3
InChIKeyBFLBPDFVOHSFSA-UHFFFAOYSA-N
XLogP-0.20
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3R)-3-(methoxymethyl)-4-oxopentanoate
CID 162016837
2-(aminomethyl)-5-methoxy-4-methylpentanoic acid;hydrochloride
CID 122163311
2-(aminomethyl)-4-methoxybutanoic acid;hydrochloride
CID 66545696
2-[2-(aminomethyl)pentanoylamino]-3-methoxypropanoic acid
CID 81077823
2-(aminomethyl)-5-methoxy-4-methyl-N-propylpentanamide
CID 116502231
(2R)-2-(acetamidomethyl)-3-methoxy-N-methylpropanamide
CID 147154567
ethyl 2-(methoxymethyl)pentanoate
CID 141084723
3-methoxy-2-methylpropanamide;hydrochloride
CID 88805694
3,4-dihydroxy-5-methoxypentan-2-one
CID 126497812
(3S)-3-amino-4-[2-(2-methoxyethoxy)ethoxy]butan-2-one
CID 59672514
5-methoxy-2,4-dimethylpent-1-en-3-one
CID 20663748
2-methoxyethyl 3-amino-2-hydroxypropanoate
CID 66165602

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-methoxybutan-2-one?
The IUPAC name of 3-(aminomethyl)-4-methoxybutan-2-one (CID 59279706) is 3-(aminomethyl)-4-methoxybutan-2-one.
What is the SMILES notation for 3-(aminomethyl)-4-methoxybutan-2-one?
The canonical SMILES for 3-(aminomethyl)-4-methoxybutan-2-one is COCC(CN)C(C)=O.
What is the InChIKey of 3-(aminomethyl)-4-methoxybutan-2-one?
The InChIKey is BFLBPDFVOHSFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-5(8)6(3-7)4-9-2/h6H,3-4,7H2,1-2H3.
What are the key properties of 3-(aminomethyl)-4-methoxybutan-2-one?
3-(aminomethyl)-4-methoxybutan-2-one has a molecular weight of 131.18 g/mol, XLogP of -0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-methoxybutan-2-one is sourced from PubChem (CID 59279706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).