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

C13H24N2O2 — CID 104921251

IUPAC(2R)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3,3-dimethylbutan-1-one
SMILESCOCC1=CCN(C(=O)[C@H](N)C(C)(C)C)CC1
InChIInChI=1S/C13H24N2O2/c1-13(2,3)11(14)12(16)15-7-5-10(6-8-15)9-17-4/h5,11H,6-9,14H2,1-4H3/t11-/m0/s1
InChIKeyDVHGUOZXZOXZAE-NSHDSACASA-N
MW240.35 g/mol
LogP1.16
Rot. Bonds3

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

(2R)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3,3-dimethylbutan-1-one (PubChem CID 104921251) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (2R)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3,3-dimethylbutan-1-one
PubChem CID104921251
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(2R)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3,3-dimethylbutan-1-one
SMILESCOCC1=CCN(C(=O)[C@H](N)C(C)(C)C)CC1
InChIInChI=1S/C13H24N2O2/c1-13(2,3)11(14)12(16)15-7-5-10(6-8-15)9-17-4/h5,11H,6-9,14H2,1-4H3/t11-/m0/s1
InChIKeyDVHGUOZXZOXZAE-NSHDSACASA-N
XLogP1.16
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3,3-dimethylbutan-1-one with MolForge

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Launch Full Analysis

Related Compounds

(2S)-N-[(2S)-1-[[(E,3S)-6-methoxy-2,5-dimethylhex-4-en-3-yl]-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-3,3-dimethyl-2-(methylamino)butanamide
CID 58669385
ethyl (E,4S)-4-[[(2S)-2-amino-3,3-dimethylbutanoyl]-methylamino]-2-methylpent-2-enoate
CID 58822399
2-(chloroamino)-N-[(E)-6-methoxy-2,5-dimethylhex-4-en-3-yl]-N,3,3-trimethylbutanamide
CID 87065238
2-(chloroamino)-N-[(E,3S)-6-ethoxy-2,5-dimethylhex-4-en-3-yl]-N,3,3-trimethylbutanamide
CID 89282926
2-(chloroamino)-N-[(E,3S)-6-methoxy-2,5-dimethylhex-4-en-3-yl]-N,3,3-trimethylbutanamide
CID 89938919
(2S)-N-[(2S)-1-[[(3S)-6-methoxy-2,5-dimethylhex-4-en-3-yl]-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-3,3-dimethyl-2-(methylamino)butanamide
CID 90874775
ethyl (4S)-4-[[(2S)-2-amino-3,3-dimethylbutanoyl]-methylamino]-2-methylpent-2-enoate
CID 91058905
(2S)-2-(chloroamino)-N-[(E,3S)-6-methoxy-2,5-dimethylhex-4-en-3-yl]-N,3,3-trimethylbutanamide
CID 117782262
(2S)-2-amino-N-[(E,3S)-6-ethoxy-2,5-dimethylhex-4-en-3-yl]-N,3-dimethylbutanamide
CID 143023877
(2R)-2-amino-3,3-dimethyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
CID 104921222
(2S)-2-amino-3,3-dimethyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
CID 104921241
(2S)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methylbutan-1-one
CID 104921252

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3,3-dimethylbutan-1-one?
The IUPAC name of (2R)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3,3-dimethylbutan-1-one (CID 104921251) is (2R)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3,3-dimethylbutan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3,3-dimethylbutan-1-one?
The canonical SMILES for (2R)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3,3-dimethylbutan-1-one is COCC1=CCN(C(=O)[C@H](N)C(C)(C)C)CC1.
What is the InChIKey of (2R)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3,3-dimethylbutan-1-one?
The InChIKey is DVHGUOZXZOXZAE-NSHDSACASA-N. The full InChI is InChI=1S/C13H24N2O2/c1-13(2,3)11(14)12(16)15-7-5-10(6-8-15)9-17-4/h5,11H,6-9,14H2,1-4H3/t11-/m0/s1.
What are the key properties of (2R)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3,3-dimethylbutan-1-one?
(2R)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3,3-dimethylbutan-1-one has a molecular weight of 240.35 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3,3-dimethylbutan-1-one is sourced from PubChem (CID 104921251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).