3-amino-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-4-oxobutanamide

C11H19N3O3 — CID 114409656

IUPAC3-amino-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-4-oxobutanamide
SMILESCOCC1=CCN(C(=O)C(N)CC(N)=O)CC1
InChIInChI=1S/C11H19N3O3/c1-17-7-8-2-4-14(5-3-8)11(16)9(12)6-10(13)15/h2,9H,3-7,12H2,1H3,(H2,13,15)
InChIKeyHVLCPBBPHVFVKL-UHFFFAOYSA-N
MW241.29 g/mol
LogP-1.01
Rot. Bonds5

About 3-amino-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-4-oxobutanamide

3-amino-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-4-oxobutanamide (PubChem CID 114409656) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-amino-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-4-oxobutanamide.

Molecular Properties

Compound Name3-amino-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-4-oxobutanamide
PubChem CID114409656
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name3-amino-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-4-oxobutanamide
SMILESCOCC1=CCN(C(=O)C(N)CC(N)=O)CC1
InChIInChI=1S/C11H19N3O3/c1-17-7-8-2-4-14(5-3-8)11(16)9(12)6-10(13)15/h2,9H,3-7,12H2,1H3,(H2,13,15)
InChIKeyHVLCPBBPHVFVKL-UHFFFAOYSA-N
XLogP-1.01
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[1-formyl-4-(methoxymethyl)-3-(prop-2-enoxyamino)-3,6-dihydro-2H-pyridin-6-yl]acetamide
CID 123484576
(2R)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3,3-dimethylbutan-1-one
CID 104921251
(2S)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methylbutan-1-one
CID 104921252
(2R)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 104921258
(2R)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methylbutan-1-one
CID 104921259
(2R)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-4-methylpentan-1-one
CID 104921261
(2R)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
CID 104921263
(2S)-2-amino-N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methylbutanamide
CID 104921264
(2S)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3,3-dimethylbutan-1-one
CID 104921266
(2S)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 104921267
(2S,3S)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methylpentan-1-one
CID 104921271
(2S)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
CID 104921275

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-4-oxobutanamide?
The IUPAC name of 3-amino-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-4-oxobutanamide (CID 114409656) is 3-amino-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-4-oxobutanamide.
What is the SMILES notation for 3-amino-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-4-oxobutanamide?
The canonical SMILES for 3-amino-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-4-oxobutanamide is COCC1=CCN(C(=O)C(N)CC(N)=O)CC1.
What is the InChIKey of 3-amino-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-4-oxobutanamide?
The InChIKey is HVLCPBBPHVFVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-17-7-8-2-4-14(5-3-8)11(16)9(12)6-10(13)15/h2,9H,3-7,12H2,1H3,(H2,13,15).
What are the key properties of 3-amino-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-4-oxobutanamide?
3-amino-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-4-oxobutanamide has a molecular weight of 241.29 g/mol, XLogP of -1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-4-oxobutanamide is sourced from PubChem (CID 114409656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).