2-amino-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-3-methoxypropanamide;hydrochloride

C13H25ClN2O3 — CID 120990883

IUPAC2-amino-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)NC1C2CCCOC2C1(C)C.Cl
InChIInChI=1S/C13H24N2O3.ClH/c1-13(2)10(8-5-4-6-18-11(8)13)15-12(16)9(14)7-17-3;/h8-11H,4-7,14H2,1-3H3,(H,15,16);1H
InChIKeyLYTOTWFQCQWPAQ-UHFFFAOYSA-N
MW292.81 g/mol
LogP0.70
Rot. Bonds4

About 2-amino-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-3-methoxypropanamide;hydrochloride

2-amino-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-3-methoxypropanamide;hydrochloride (PubChem CID 120990883) has the molecular formula C13H25ClN2O3 and a molecular weight of 292.81 g/mol. Its IUPAC name is 2-amino-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-3-methoxypropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-3-methoxypropanamide;hydrochloride
PubChem CID120990883
Molecular FormulaC13H25ClN2O3
Molecular Weight292.81 g/mol
Exact Mass292.16
IUPAC Name2-amino-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)NC1C2CCCOC2C1(C)C.Cl
InChIInChI=1S/C13H24N2O3.ClH/c1-13(2)10(8-5-4-6-18-11(8)13)15-12(16)9(14)7-17-3;/h8-11H,4-7,14H2,1-3H3,(H,15,16);1H
InChIKeyLYTOTWFQCQWPAQ-UHFFFAOYSA-N
XLogP0.70
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-3-methoxypropanamide;hydrochloride with MolForge

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Related Compounds

2-amino-3-methoxy-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylpropanamide
CID 120993433
2-amino-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)propanamide;hydrochloride
CID 119329831
2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-3-methoxypropan-1-ol
CID 114155618
2-amino-N-cyclooctyl-3-methoxypropanamide
CID 81082114
2-amino-3-methoxy-N-[2-(oxolan-2-yl)ethyl]propanamide
CID 81089453
3-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 122003730
4-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)carbamoyl]benzoic acid
CID 119186592
tert-butyl 2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]acetate
CID 81463041
tert-butyl N-[1-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-2-methylpropan-2-yl]carbamate
CID 103921711
2-amino-3-methoxy-N-(2-methoxycyclohexyl)propanamide;hydrochloride
CID 120990985
N-(2-methoxy-2-methylpropyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 113352197
(2R)-2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]propan-1-ol
CID 114987247

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-3-methoxypropanamide;hydrochloride?
The IUPAC name of 2-amino-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-3-methoxypropanamide;hydrochloride (CID 120990883) is 2-amino-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-3-methoxypropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-3-methoxypropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-3-methoxypropanamide;hydrochloride is COCC(N)C(=O)NC1C2CCCOC2C1(C)C.Cl.
What is the InChIKey of 2-amino-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-3-methoxypropanamide;hydrochloride?
The InChIKey is LYTOTWFQCQWPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3.ClH/c1-13(2)10(8-5-4-6-18-11(8)13)15-12(16)9(14)7-17-3;/h8-11H,4-7,14H2,1-3H3,(H,15,16);1H.
What are the key properties of 2-amino-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-3-methoxypropanamide;hydrochloride?
2-amino-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-3-methoxypropanamide;hydrochloride has a molecular weight of 292.81 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-3-methoxypropanamide;hydrochloride is sourced from PubChem (CID 120990883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).