2-amino-4-methoxy-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)butanamide

C12H22N2O3 — CID 114267337

IUPAC2-amino-4-methoxy-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)butanamide
SMILESCOCCC(N)C(=O)NCC1CC2CCC1O2
InChIInChI=1S/C12H22N2O3/c1-16-5-4-10(13)12(15)14-7-8-6-9-2-3-11(8)17-9/h8-11H,2-7,13H2,1H3,(H,14,15)
InChIKeyHUHWXRRVNJNBFQ-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.03
Rot. Bonds6

About 2-amino-4-methoxy-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)butanamide

2-amino-4-methoxy-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)butanamide (PubChem CID 114267337) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)butanamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)butanamide
PubChem CID114267337
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-amino-4-methoxy-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)butanamide
SMILESCOCCC(N)C(=O)NCC1CC2CCC1O2
InChIInChI=1S/C12H22N2O3/c1-16-5-4-10(13)12(15)14-7-8-6-9-2-3-11(8)17-9/h8-11H,2-7,13H2,1H3,(H,14,15)
InChIKeyHUHWXRRVNJNBFQ-UHFFFAOYSA-N
XLogP0.03
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-4-methoxy-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)propanamide
CID 130164935
2-amino-4-methoxy-N-[(2-methylcyclopentyl)methyl]butanamide
CID 107418374
2-amino-3-methoxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide;hydrochloride
CID 120992551
2-amino-4-methoxy-N-(oxolan-2-ylmethyl)butanamide
CID 62472979
2-amino-4-methoxy-N-(oxan-3-ylmethyl)butanamide
CID 62473603
2-amino-4-methoxy-N-[(1-methylpiperidin-3-yl)methyl]butanamide
CID 62475604
2-bromo-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)propanamide
CID 130505200
methyl 2-[(1R,2R)-7-oxabicyclo[2.2.1]heptan-2-yl]acetate
CID 130359597
2-amino-N-(2-aminoethyl)-4-methoxybutanamide
CID 62477473
2-amino-N-(2-hydroxyethyl)-4-methoxybutanamide
CID 62472987
2-amino-4-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butanamide
CID 62472672
2-amino-N-(cyclobutylmethyl)-3-methoxypropanamide
CID 81080963

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)butanamide?
The IUPAC name of 2-amino-4-methoxy-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)butanamide (CID 114267337) is 2-amino-4-methoxy-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)butanamide.
What is the SMILES notation for 2-amino-4-methoxy-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)butanamide?
The canonical SMILES for 2-amino-4-methoxy-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)butanamide is COCCC(N)C(=O)NCC1CC2CCC1O2.
What is the InChIKey of 2-amino-4-methoxy-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)butanamide?
The InChIKey is HUHWXRRVNJNBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-16-5-4-10(13)12(15)14-7-8-6-9-2-3-11(8)17-9/h8-11H,2-7,13H2,1H3,(H,14,15).
What are the key properties of 2-amino-4-methoxy-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)butanamide?
2-amino-4-methoxy-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)butanamide has a molecular weight of 242.32 g/mol, XLogP of 0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)butanamide is sourced from PubChem (CID 114267337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).