4-amino-N-(dicyclopropylmethyl)-3-methoxybutanamide

C12H22N2O2 — CID 103155504

IUPAC4-amino-N-(dicyclopropylmethyl)-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NC(C1CC1)C1CC1
InChIInChI=1S/C12H22N2O2/c1-16-10(7-13)6-11(15)14-12(8-2-3-8)9-4-5-9/h8-10,12H,2-7,13H2,1H3,(H,14,15)
InChIKeyZFOGSGFHGNYTRW-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.65
Rot. Bonds7

About 4-amino-N-(dicyclopropylmethyl)-3-methoxybutanamide

4-amino-N-(dicyclopropylmethyl)-3-methoxybutanamide (PubChem CID 103155504) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-amino-N-(dicyclopropylmethyl)-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-(dicyclopropylmethyl)-3-methoxybutanamide
PubChem CID103155504
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name4-amino-N-(dicyclopropylmethyl)-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NC(C1CC1)C1CC1
InChIInChI=1S/C12H22N2O2/c1-16-10(7-13)6-11(15)14-12(8-2-3-8)9-4-5-9/h8-10,12H,2-7,13H2,1H3,(H,14,15)
InChIKeyZFOGSGFHGNYTRW-UHFFFAOYSA-N
XLogP0.65
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-amino-3-methoxybutanoyl)amino]-2-cyclopropylacetic acid
CID 103155791
4-amino-3-methoxy-N-[1-(oxan-4-yl)ethyl]butanamide
CID 107093451
4-amino-N-(3-amino-1-cyclohexyl-3-oxopropyl)-3-methoxybutanamide
CID 120594227
4-amino-3-methoxy-N-(3-methylbutan-2-yl)butanamide
CID 103154290
4-amino-N-(1-cyclobutylpentyl)-3-methoxybutanamide
CID 120592498
4-amino-N-(2-cyclobutylethyl)-3-methoxybutanamide
CID 103156672
4-amino-N-(2-aminoethyl)-3-methoxybutanamide
CID 103155547
4-amino-N-[cyclobutyl(phenyl)methyl]-3-methoxybutanamide;hydrochloride
CID 120591726
4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methoxybutanamide
CID 103156180
4-amino-N-(3-ethylpentan-2-yl)-3-methoxybutanamide
CID 103155921
(2S)-2-[(4-amino-3-methoxybutanoyl)amino]-3-hydroxypropanoic acid
CID 103155444
2-[(4-amino-3-methoxybutanoyl)amino]-3-hydroxypropanoic acid
CID 103155386

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(dicyclopropylmethyl)-3-methoxybutanamide?
The IUPAC name of 4-amino-N-(dicyclopropylmethyl)-3-methoxybutanamide (CID 103155504) is 4-amino-N-(dicyclopropylmethyl)-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-(dicyclopropylmethyl)-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-(dicyclopropylmethyl)-3-methoxybutanamide is COC(CN)CC(=O)NC(C1CC1)C1CC1.
What is the InChIKey of 4-amino-N-(dicyclopropylmethyl)-3-methoxybutanamide?
The InChIKey is ZFOGSGFHGNYTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-16-10(7-13)6-11(15)14-12(8-2-3-8)9-4-5-9/h8-10,12H,2-7,13H2,1H3,(H,14,15).
What are the key properties of 4-amino-N-(dicyclopropylmethyl)-3-methoxybutanamide?
4-amino-N-(dicyclopropylmethyl)-3-methoxybutanamide has a molecular weight of 226.32 g/mol, XLogP of 0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(dicyclopropylmethyl)-3-methoxybutanamide is sourced from PubChem (CID 103155504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).